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CAS 829-71-0 4-(2-hydroxyethyl)benzene-1-sulfonamide molecular structure lightbox
CAS RN: 829-71-0

4-(2-hydroxyethyl)benzene-1-sulfonamide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260517 100mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS829-71-0
  • Purity/Analytical Methods: >99.0%
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829-71-0 / 4-(2-hydroxyethyl)benzenesulfonamide

Standard CAS: 829-71-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
829-71-0
Multi CAS
No
Molecular Formula
C8H11NO3S
Molecular Weight
201.250000
Exact Mass
201.045964
InChI
InChI=1S/C8H11NO3S/c9-13(11,12)8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2,(H2,9,11,12)
InChIKey
RYKHXKKLCRPAJP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
48.61
TPSA
80.39

LogP / Solubility

WLOGP
-0.13
MLOGP
-0.12
XLogP3
0.1
Consensus LogP
-0.05
Log S (ESOL)
-1.15
Class (ESOL)
Soluble
Log S (Ali)
-1.12
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.22
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)
-4.04

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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