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CAS 118837-66-4 3-AMINO-N-ISOPROPYLBENZENESULFONAMIDE molecular structure lightbox
CAS RN: 118837-66-4

3-AMINO-N-ISOPROPYLBENZENESULFONAMIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250320 1g / 5g / 25g Out of stock 15 business days Inquiry
  • Product code: SSC-019063
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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: 5g
  • 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 118837-66-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

118837-66-4 / 3-amino-N-propan-2-ylbenzenesulfonamide

3-Amino-N-isopropylbenzenesulfonamide | N-Isopropyl 3-aminobenzenesulfonamide | 3-amino-N-propan-2-ylbenzenesulfonamide

Standard CAS: 118837-66-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
118837-66-4
Multi CAS
No
Molecular Formula
C9H14N2O2S
Molecular Weight
214.290000
Exact Mass
214.077599
SMILES
CC(C)NS(=O)(=O)C1=CC=CC(=C1)N
InChI
InChI=1S/C9H14N2O2S/c1-7(2)11-14(12,13)9-5-3-4-8(10)6-9/h3-7,11H,10H2,1-2H3
InChIKey
NIUZLEBXTLRCKA-UHFFFAOYSA-N
Synonyms
3-Amino-N-isopropylbenzenesulfonamide N-Isopropyl 3-aminobenzenesulfonamide 3-amino-N-propan-2-ylbenzenesulfonamide MFCD09027278 3-Amino-N-isopropylbenzenesulphonamide

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
56.31
TPSA
72.19

LogP / Solubility

WLOGP
0.96
MLOGP
0.84
XLogP3
0.8
Consensus LogP
0.87
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.21
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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