2-chloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-4-sulfonamide

C13H13ClN2O3S — CID 61051398

IUPAC2-chloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-4-sulfonamide
SMILESCC(NS(=O)(=O)c1ccnc(Cl)c1)c1cccc(O)c1
InChIInChI=1S/C13H13ClN2O3S/c1-9(10-3-2-4-11(17)7-10)16-20(18,19)12-5-6-15-13(14)8-12/h2-9,16-17H,1H3
InChIKeyDZTWIVVZSBJCHL-UHFFFAOYSA-N
MW312.78 g/mol
LogP2.48
Rot. Bonds4

About 2-chloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-4-sulfonamide

2-chloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-4-sulfonamide (PubChem CID 61051398) has the molecular formula C13H13ClN2O3S and a molecular weight of 312.78 g/mol. Its IUPAC name is 2-chloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-4-sulfonamide
PubChem CID61051398
Molecular FormulaC13H13ClN2O3S
Molecular Weight312.78 g/mol
Exact Mass312.03
IUPAC Name2-chloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-4-sulfonamide
SMILESCC(NS(=O)(=O)c1ccnc(Cl)c1)c1cccc(O)c1
InChIInChI=1S/C13H13ClN2O3S/c1-9(10-3-2-4-11(17)7-10)16-20(18,19)12-5-6-15-13(14)8-12/h2-9,16-17H,1H3
InChIKeyDZTWIVVZSBJCHL-UHFFFAOYSA-N
XLogP2.48
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-4-sulfonamide 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

2-chloro-N-(1-pyridin-4-ylethyl)pyridine-4-sulfonamide
CID 54895920
3-hydroxy-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 81258843
2-chloro-N-(3,3-dimethylbutan-2-yl)pyridine-4-sulfonamide
CID 104828022
2-chloro-N-[1-(3-chlorophenyl)propyl]pyridine-4-sulfonamide
CID 61051592
3-hydroxy-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 81259142
2-chloro-N-(1-phenylbutyl)pyridine-4-sulfonamide
CID 61052003
2-chloro-N-(3-methylpentan-2-yl)pyridine-4-sulfonamide
CID 54950253
2-chloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-4-sulfonamide
CID 107856823
2-chloro-N-(1-methoxypropan-2-yl)pyridine-4-sulfonamide
CID 61004005
2-chloro-N-[1-(2-chlorophenyl)propan-2-yl]pyridine-4-sulfonamide
CID 61053448
3,4-dichloro-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 7038002
methyl 2-[(2-chloro-4-pyridinyl)sulfonylamino]-3-methylpentanoate
CID 61046444

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-4-sulfonamide (CID 61051398) is 2-chloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-4-sulfonamide is CC(NS(=O)(=O)c1ccnc(Cl)c1)c1cccc(O)c1.
What is the InChIKey of 2-chloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-4-sulfonamide?
The InChIKey is DZTWIVVZSBJCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3S/c1-9(10-3-2-4-11(17)7-10)16-20(18,19)12-5-6-15-13(14)8-12/h2-9,16-17H,1H3.
What are the key properties of 2-chloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-4-sulfonamide?
2-chloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-4-sulfonamide has a molecular weight of 312.78 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-4-sulfonamide is sourced from PubChem (CID 61051398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).