2-chloro-N-ethyl-N-(3-hydroxyphenyl)pyridine-3-sulfonamide

C13H13ClN2O3S — CID 103223846

IUPAC2-chloro-N-ethyl-N-(3-hydroxyphenyl)pyridine-3-sulfonamide
SMILESCCN(c1cccc(O)c1)S(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C13H13ClN2O3S/c1-2-16(10-5-3-6-11(17)9-10)20(18,19)12-7-4-8-15-13(12)14/h3-9,17H,2H2,1H3
InChIKeyJURRBADTXMGIDD-UHFFFAOYSA-N
MW312.78 g/mol
LogP2.66
Rot. Bonds4

About 2-chloro-N-ethyl-N-(3-hydroxyphenyl)pyridine-3-sulfonamide

2-chloro-N-ethyl-N-(3-hydroxyphenyl)pyridine-3-sulfonamide (PubChem CID 103223846) has the molecular formula C13H13ClN2O3S and a molecular weight of 312.78 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-(3-hydroxyphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-(3-hydroxyphenyl)pyridine-3-sulfonamide
PubChem CID103223846
Molecular FormulaC13H13ClN2O3S
Molecular Weight312.78 g/mol
Exact Mass312.03
IUPAC Name2-chloro-N-ethyl-N-(3-hydroxyphenyl)pyridine-3-sulfonamide
SMILESCCN(c1cccc(O)c1)S(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C13H13ClN2O3S/c1-2-16(10-5-3-6-11(17)9-10)20(18,19)12-7-4-8-15-13(12)14/h3-9,17H,2H2,1H3
InChIKeyJURRBADTXMGIDD-UHFFFAOYSA-N
XLogP2.66
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-chloro-N-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide
CID 107733551
2-amino-N-ethyl-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 107733558
N-ethyl-2,5-difluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 103223870
N-ethyl-N-(3-hydroxyphenyl)-2,2-dimethylpropane-1-sulfonamide
CID 107736583
2-chloro-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 52893457
N-ethyl-N-(3-hydroxyphenyl)-2-pyridin-4-ylethanesulfonamide
CID 107736591
2-[(2-chloro-3-pyridinyl)sulfonyl-ethylamino]-2-methylpropanoic acid
CID 62817489
2-chloro-N-(2-cyanoethyl)-N-ethylpyridine-3-sulfonamide
CID 61046475
3-cyano-N-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide
CID 103223799
N-ethyl-N-(3-hydroxyphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 107858285
2-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide
CID 107398331
2-chloro-N-ethyl-N-(2-methoxyethyl)pyridine-3-sulfonamide
CID 54948785

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-(3-hydroxyphenyl)pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-ethyl-N-(3-hydroxyphenyl)pyridine-3-sulfonamide (CID 103223846) is 2-chloro-N-ethyl-N-(3-hydroxyphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-ethyl-N-(3-hydroxyphenyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-ethyl-N-(3-hydroxyphenyl)pyridine-3-sulfonamide is CCN(c1cccc(O)c1)S(=O)(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-ethyl-N-(3-hydroxyphenyl)pyridine-3-sulfonamide?
The InChIKey is JURRBADTXMGIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3S/c1-2-16(10-5-3-6-11(17)9-10)20(18,19)12-7-4-8-15-13(12)14/h3-9,17H,2H2,1H3.
What are the key properties of 2-chloro-N-ethyl-N-(3-hydroxyphenyl)pyridine-3-sulfonamide?
2-chloro-N-ethyl-N-(3-hydroxyphenyl)pyridine-3-sulfonamide has a molecular weight of 312.78 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-(3-hydroxyphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 103223846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).