CAS 112006-75-4 2-Aminosulfonyl-N,N-dimethylnicotinamide molecular structure

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CAS RN: 112006-75-4

2-Aminosulfonyl-N,N-dimethylnicotinamide

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1 package records0 with current stock1 grade group

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Batch No.	Package	Availability	Lead Time	Inquiry
Batchno.20250618	250mg / 1g / 5g / 25g	Out of stock	8-10 business days	Inquiry

Product code: SSC-012546

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Historical Factory Record

Historical Supply Reference

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Pack sizes on record: 1g
Available purity: ≥95%
Inventory rows with stock: 0
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Recorded sizes, purity and stock details for CAS 112006-75-4
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	≥95%	0 Out of Stock	Shenzhen	Inquiry

112006-75-4 / N,N-dimethyl-2-sulfamoylpyridine-3-carboxamide

N,N-Dimethyl-2-sulfamoylnicotinamide | 2-Aminosulfonyl-N,N-dimethylnicotinamide | 3-Pyridinecarboxamide, 2-(aminosulfonyl)-N,N-dimethyl-

Standard CAS: 112006-75-4 Multi CAS: Yes

Basic Information Computed Properties Safety & Transport

Basic Information

CAS

112006-75-4

Multi CAS

Yes

Molecular Formula

C8H11N3O3S

Molecular Weight

229.260000

Exact Mass

229.052112

SMILES

CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)N

InChI

InChI=1S/C8H11N3O3S/c1-11(2)8(12)6-4-3-5-10-7(6)15(9,13)14/h3-5H,1-2H3,(H2,9,13,14)

InChIKey

WYFKZPLSYVJLRB-UHFFFAOYSA-N

Synonyms

N,N-Dimethyl-2-sulfamoylnicotinamide 2-Aminosulfonyl-N,N-dimethylnicotinamide 3-Pyridinecarboxamide, 2-(aminosulfonyl)-N,N-dimethyl- WJ075RF748 DTXSID90888854

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.25

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

53.63

TPSA

93.36

LogP / Solubility

WLOGP

-0.57

MLOGP

-0.5

XLogP3

-0.8

Consensus LogP

-0.62

Log S (ESOL)

-1.07

Class (ESOL)

Soluble

Log S (Ali)

-1.03

Class (Ali)

Soluble

Log S (SILICOS-IT)

-0.92

Class (SILICOS-IT)

Very soluble

ADME

GI absorption

Low

BBB permeant

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-4.52

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

1.5

Safety & Transport

Pictogram(s)

Irritant

Signal

Warning

GHS Hazard Statements

H317: May cause an allergic skin reaction [Warning Sensitization, Skin] H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statement Codes

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, and P501