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CAS 209917-48-6 N-tert-Butyl 4-Aminophenylsulfonamide molecular structure lightbox
CAS RN: 209917-48-6

N-tert-Butyl 4-Aminophenylsulfonamide

  • Product code: SSC-099826
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 0.1g, 0.25g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 209917-48-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 4 In Stock Beijing Inquiry
5g >97% 4 In Stock Hong Kong Inquiry
10g >97% 3 In Stock Shanghai Inquiry
0.1g >97% 2 In Stock Shenzhen Inquiry
0.25g >97% 2 In Stock Beijing Inquiry
25g >97% 0 Out of Stock Hong Kong Inquiry

209917-48-6 / 4-amino-N-tert-butylbenzenesulfonamide

Standard CAS: 209917-48-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
209917-48-6
Multi CAS
No
Molecular Formula
C10H16N2O2S
Molecular Weight
228.310000
Exact Mass
228.093249
SMILES
CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C10H16N2O2S/c1-10(2,3)12-15(13,14)9-6-4-8(11)5-7-9/h4-7,12H,11H2,1-3H3
InChIKey
XEJAJZSTMLRDKH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
60.93
TPSA
72.19

LogP / Solubility

WLOGP
1.35
MLOGP
1.19
XLogP3
1.2
Consensus LogP
1.25
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.5
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)
-3.16

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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