2-chloro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide

C15H16ClNO4S — CID 110663435

IUPAC2-chloro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1cccc(C(O)CNS(=O)(=O)c2ccccc2Cl)c1
InChIInChI=1S/C15H16ClNO4S/c1-21-12-6-4-5-11(9-12)14(18)10-17-22(19,20)15-8-3-2-7-13(15)16/h2-9,14,17-18H,10H2,1H3
InChIKeyYEARXRWALJVIJF-UHFFFAOYSA-N
MW341.82 g/mol
LogP2.36
Rot. Bonds6

About 2-chloro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide

2-chloro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide (PubChem CID 110663435) has the molecular formula C15H16ClNO4S and a molecular weight of 341.82 g/mol. Its IUPAC name is 2-chloro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide
PubChem CID110663435
Molecular FormulaC15H16ClNO4S
Molecular Weight341.82 g/mol
Exact Mass341.05
IUPAC Name2-chloro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1cccc(C(O)CNS(=O)(=O)c2ccccc2Cl)c1
InChIInChI=1S/C15H16ClNO4S/c1-21-12-6-4-5-11(9-12)14(18)10-17-22(19,20)15-8-3-2-7-13(15)16/h2-9,14,17-18H,10H2,1H3
InChIKeyYEARXRWALJVIJF-UHFFFAOYSA-N
XLogP2.36
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.82
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2,4-dimethylbenzenesulfonamide
CID 110663391
2-chloro-N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]benzenesulfonamide
CID 97325974
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110663406
2-fluoro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 73168532
methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
CID 110663358
cis-(1S,2R)-2-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 129424865
N-(2-chlorophenyl)sulfonyl-3-methoxybenzamide
CID 139085848
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2,4-dimethoxybenzenesulfonamide
CID 90613527
2-chloro-N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide
CID 112506805
1-(2-chlorophenyl)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]ethanol
CID 81355347
2-chloro-N-[(2R)-3-hydroxy-2-methylpropyl]benzenesulfonamide
CID 96832457
2-chloro-N-[(2S)-3-hydroxy-2-methylpropyl]benzenesulfonamide
CID 96832456

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide (CID 110663435) is 2-chloro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide is COc1cccc(C(O)CNS(=O)(=O)c2ccccc2Cl)c1.
What is the InChIKey of 2-chloro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide?
The InChIKey is YEARXRWALJVIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO4S/c1-21-12-6-4-5-11(9-12)14(18)10-17-22(19,20)15-8-3-2-7-13(15)16/h2-9,14,17-18H,10H2,1H3.
What are the key properties of 2-chloro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide?
2-chloro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide has a molecular weight of 341.82 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110663435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).