2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzenesulfonamide

C13H14ClNO3S2 — CID 75477657

IUPAC2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzenesulfonamide
SMILESCc1ccc(Cl)c(S(=O)(=O)NCC(O)c2ccsc2)c1
InChIInChI=1S/C13H14ClNO3S2/c1-9-2-3-11(14)13(6-9)20(17,18)15-7-12(16)10-4-5-19-8-10/h2-6,8,12,15-16H,7H2,1H3
InChIKeyPGKZAGDKQFFERH-UHFFFAOYSA-N
MW331.85 g/mol
LogP2.72
Rot. Bonds5

About 2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzenesulfonamide

2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzenesulfonamide (PubChem CID 75477657) has the molecular formula C13H14ClNO3S2 and a molecular weight of 331.85 g/mol. Its IUPAC name is 2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzenesulfonamide
PubChem CID75477657
Molecular FormulaC13H14ClNO3S2
Molecular Weight331.85 g/mol
Exact Mass331.01
IUPAC Name2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzenesulfonamide
SMILESCc1ccc(Cl)c(S(=O)(=O)NCC(O)c2ccsc2)c1
InChIInChI=1S/C13H14ClNO3S2/c1-9-2-3-11(14)13(6-9)20(17,18)15-7-12(16)10-4-5-19-8-10/h2-6,8,12,15-16H,7H2,1H3
InChIKeyPGKZAGDKQFFERH-UHFFFAOYSA-N
XLogP2.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzenesulfonamide 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

5-amino-4-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylbenzenesulfonamide
CID 106434445
5-chloro-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]-2-methoxybenzenesulfonamide
CID 52906915
2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-3-sulfonamide
CID 104600318
3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methoxybenzenesulfonamide
CID 90496616
2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 90496558
2,4-dichloro-N-(2-methoxy-2-thiophen-3-ylethyl)-5-methylbenzenesulfonamide
CID 90584085
3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methylbenzenesulfonamide
CID 106434406
5-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-methylbenzenesulfonamide
CID 121132222
N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrrole-3-sulfonamide
CID 114188652
3-chloro-N-[2-hydroxy-2-(4-thiophen-3-ylphenyl)ethyl]-2-methylbenzenesulfonamide
CID 122244303
3,4-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 103916544
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpropane-1-sulfonamide
CID 103916531

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzenesulfonamide?
The IUPAC name of 2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzenesulfonamide (CID 75477657) is 2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzenesulfonamide is Cc1ccc(Cl)c(S(=O)(=O)NCC(O)c2ccsc2)c1.
What is the InChIKey of 2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzenesulfonamide?
The InChIKey is PGKZAGDKQFFERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO3S2/c1-9-2-3-11(14)13(6-9)20(17,18)15-7-12(16)10-4-5-19-8-10/h2-6,8,12,15-16H,7H2,1H3.
What are the key properties of 2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzenesulfonamide?
2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzenesulfonamide has a molecular weight of 331.85 g/mol, XLogP of 2.72, 5 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-thiophen-3-ylethyl)-5-methylbenzenesulfonamide is sourced from PubChem (CID 75477657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).