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CAS 119737-34-7 N-METHYL-4-PIPERIDIN-4-YL-BENZENESULFONAMIDE molecular structure lightbox
CAS RN: 119737-34-7

N-METHYL-4-PIPERIDIN-4-YL-BENZENESULFONAMIDE

  • Product code: SSC-020479
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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 119737-34-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

119737-34-7 / N-methyl-4-piperidin-4-ylbenzenesulfonamide

N-METHYL-4-PIPERIDIN-4-YL-BENZENESULFONAMIDE | n-methyl-4-piperidin-4-ylbenzenesulfonamide | N-Methyl-4-(4-piperidyl)benzenesulfonamide

Standard CAS: 119737-34-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
119737-34-7
Multi CAS
No
Molecular Formula
C12H18N2O2S
Molecular Weight
254.350000
Exact Mass
254.108899
SMILES
CNS(=O)(=O)C1=CC=C(C=C1)C2CCNCC2
InChI
InChI=1S/C12H18N2O2S/c1-13-17(15,16)12-4-2-10(3-5-12)11-6-8-14-9-7-11/h2-5,11,13-14H,6-9H2,1H3
InChIKey
LNIUYLMAURGKFB-UHFFFAOYSA-N
Synonyms
N-METHYL-4-PIPERIDIN-4-YL-BENZENESULFONAMIDE n-methyl-4-piperidin-4-ylbenzenesulfonamide N-Methyl-4-(4-piperidyl)benzenesulfonamide N-METHYL-4-(PIPERIDIN-4-YL)BENZENESULFONAMIDE n-methyl-4-(4-piperidinyl)benzenesulphonamide

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
67.53
TPSA
58.2

LogP / Solubility

WLOGP
1.06
MLOGP
0.94
XLogP3
1
Consensus LogP
1
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.52

Drug-likeness / Medicinal Chemistry

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

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