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CAS 1044135-16-1 Benzamide,4-(aminosulfonyl)-N-cyclopropyl- molecular structure lightbox
CAS RN: 1044135-16-1

Benzamide,4-(aminosulfonyl)-N-cyclopropyl-

  • Product code: SSC-006170
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1044135-16-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1044135-16-1 / N-cyclopropyl-4-sulfamoylbenzamide

4-(Aminosulfonyl)-N-cyclopropylbenzamide | Benzamide, 4-(aminosulfonyl)-N-cyclopropyl- | UNII-R3872N999P

Standard CAS: 1044135-16-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1044135-16-1
Multi CAS
No
Molecular Formula
C10H12N2O3S
Molecular Weight
240.280000
Exact Mass
240.056863
SMILES
C1CC1NC(=O)C2=CC=C(C=C2)S(=O)(=O)N
InChI
InChI=1S/C10H12N2O3S/c11-16(14,15)9-5-1-7(2-6-9)10(13)12-8-3-4-8/h1-2,5-6,8H,3-4H2,(H,12,13)(H2,11,14,15)
InChIKey
FWAXOFUGUZQYJS-UHFFFAOYSA-N
Synonyms
4-(Aminosulfonyl)-N-cyclopropylbenzamide Benzamide, 4-(aminosulfonyl)-N-cyclopropyl- UNII-R3872N999P R3872N999P DTXSID501009373

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
58.3
TPSA
89.26

LogP / Solubility

WLOGP
0.23
MLOGP
0.2
XLogP3
0.2
Consensus LogP
0.21
Log S (ESOL)
-1.55
Class (ESOL)
Soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.77
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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