5-chloro-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide

C13H13ClN2O4S — CID 3476038

IUPAC5-chloro-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(Cl)ccc2OC)cn1
InChIInChI=1S/C13H13ClN2O4S/c1-19-11-5-3-9(14)7-12(11)21(17,18)16-10-4-6-13(20-2)15-8-10/h3-8,16H,1-2H3
InChIKeyZXVSAPNTZFVYRU-UHFFFAOYSA-N
MW328.78 g/mol
LogP2.55
Rot. Bonds5

About 5-chloro-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide

5-chloro-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide (PubChem CID 3476038) has the molecular formula C13H13ClN2O4S and a molecular weight of 328.78 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
PubChem CID3476038
Molecular FormulaC13H13ClN2O4S
Molecular Weight328.78 g/mol
Exact Mass328.03
IUPAC Name5-chloro-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(Cl)ccc2OC)cn1
InChIInChI=1S/C13H13ClN2O4S/c1-19-11-5-3-9(14)7-12(11)21(17,18)16-10-4-6-13(20-2)15-8-10/h3-8,16H,1-2H3
InChIKeyZXVSAPNTZFVYRU-UHFFFAOYSA-N
XLogP2.55
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.78
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 3866014
5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide
CID 3706982
5-chloro-2-methoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzenesulfonamide
CID 113009843
5-chloro-N-(5-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 839351
5-chloro-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]-2-methoxybenzenesulfonamide
CID 113011418
5-chloro-2-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 110727388
5-chloro-2-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 122298753
5-bromo-N-(6-chloro-3-pyridinyl)-2-methoxybenzenesulfonamide
CID 78931983
N-(4-chlorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 41446937
5-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-methoxybenzenesulfonamide
CID 108783338
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
5-chloro-2-methoxy-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 108781556

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide (CID 3476038) is 5-chloro-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2cc(Cl)ccc2OC)cn1.
What is the InChIKey of 5-chloro-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide?
The InChIKey is ZXVSAPNTZFVYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O4S/c1-19-11-5-3-9(14)7-12(11)21(17,18)16-10-4-6-13(20-2)15-8-10/h3-8,16H,1-2H3.
What are the key properties of 5-chloro-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide?
5-chloro-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide has a molecular weight of 328.78 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 3476038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).