2-chloro-N-(4-ethoxyphenyl)pyridine-4-sulfonamide

C13H13ClN2O3S — CID 61003549

IUPAC2-chloro-N-(4-ethoxyphenyl)pyridine-4-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccnc(Cl)c2)cc1
InChIInChI=1S/C13H13ClN2O3S/c1-2-19-11-5-3-10(4-6-11)16-20(17,18)12-7-8-15-13(14)9-12/h3-9,16H,2H2,1H3
InChIKeyHXGQBBXNILJFBC-UHFFFAOYSA-N
MW312.78 g/mol
LogP2.93
Rot. Bonds5

About 2-chloro-N-(4-ethoxyphenyl)pyridine-4-sulfonamide

2-chloro-N-(4-ethoxyphenyl)pyridine-4-sulfonamide (PubChem CID 61003549) has the molecular formula C13H13ClN2O3S and a molecular weight of 312.78 g/mol. Its IUPAC name is 2-chloro-N-(4-ethoxyphenyl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4-ethoxyphenyl)pyridine-4-sulfonamide
PubChem CID61003549
Molecular FormulaC13H13ClN2O3S
Molecular Weight312.78 g/mol
Exact Mass312.03
IUPAC Name2-chloro-N-(4-ethoxyphenyl)pyridine-4-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccnc(Cl)c2)cc1
InChIInChI=1S/C13H13ClN2O3S/c1-2-19-11-5-3-10(4-6-11)16-20(17,18)12-7-8-15-13(14)9-12/h3-9,16H,2H2,1H3
InChIKeyHXGQBBXNILJFBC-UHFFFAOYSA-N
XLogP2.93
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 52.93
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

2-chloro-N-(3-chloro-4-ethoxyphenyl)pyridine-4-sulfonamide
CID 61041107
3-chloro-N-(4-ethoxyphenyl)-4-fluorobenzenesulfonamide
CID 889995
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
4-amino-3-bromo-N-(4-ethoxyphenyl)benzenesulfonamide
CID 62057274
2-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-sulfonamide
CID 82795250
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
2-chloro-N-(3-methylphenyl)pyridine-4-sulfonamide
CID 54895572
4-[(4-ethoxyphenyl)sulfonylamino]-N-pyridin-2-ylbenzenesulfonamide
CID 92674441
2-chloro-N-[6-(dimethylamino)-3-pyridinyl]pyridine-4-sulfonamide
CID 61051988
2-chloro-N-(3,5-dichloro-4-fluorophenyl)pyridine-4-sulfonamide
CID 107573404
4-amino-N-(4-ethoxyphenyl)-3-methoxybenzenesulfonamide
CID 2330567

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-ethoxyphenyl)pyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-(4-ethoxyphenyl)pyridine-4-sulfonamide (CID 61003549) is 2-chloro-N-(4-ethoxyphenyl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-(4-ethoxyphenyl)pyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-(4-ethoxyphenyl)pyridine-4-sulfonamide is CCOc1ccc(NS(=O)(=O)c2ccnc(Cl)c2)cc1.
What is the InChIKey of 2-chloro-N-(4-ethoxyphenyl)pyridine-4-sulfonamide?
The InChIKey is HXGQBBXNILJFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3S/c1-2-19-11-5-3-10(4-6-11)16-20(17,18)12-7-8-15-13(14)9-12/h3-9,16H,2H2,1H3.
What are the key properties of 2-chloro-N-(4-ethoxyphenyl)pyridine-4-sulfonamide?
2-chloro-N-(4-ethoxyphenyl)pyridine-4-sulfonamide has a molecular weight of 312.78 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-ethoxyphenyl)pyridine-4-sulfonamide is sourced from PubChem (CID 61003549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).