2-chloro-4-methoxy-N-(2-methyl-4-pyridinyl)benzenesulfonamide

C13H13ClN2O3S — CID 110758843

IUPAC2-chloro-4-methoxy-N-(2-methyl-4-pyridinyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccnc(C)c2)c(Cl)c1
InChIInChI=1S/C13H13ClN2O3S/c1-9-7-10(5-6-15-9)16-20(17,18)13-4-3-11(19-2)8-12(13)14/h3-8H,1-2H3,(H,15,16)
InChIKeyYFJVEAPUDNHUHR-UHFFFAOYSA-N
MW312.78 g/mol
LogP2.85
Rot. Bonds4

About 2-chloro-4-methoxy-N-(2-methyl-4-pyridinyl)benzenesulfonamide

2-chloro-4-methoxy-N-(2-methyl-4-pyridinyl)benzenesulfonamide (PubChem CID 110758843) has the molecular formula C13H13ClN2O3S and a molecular weight of 312.78 g/mol. Its IUPAC name is 2-chloro-4-methoxy-N-(2-methyl-4-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-methoxy-N-(2-methyl-4-pyridinyl)benzenesulfonamide
PubChem CID110758843
Molecular FormulaC13H13ClN2O3S
Molecular Weight312.78 g/mol
Exact Mass312.03
IUPAC Name2-chloro-4-methoxy-N-(2-methyl-4-pyridinyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccnc(C)c2)c(Cl)c1
InChIInChI=1S/C13H13ClN2O3S/c1-9-7-10(5-6-15-9)16-20(17,18)13-4-3-11(19-2)8-12(13)14/h3-8H,1-2H3,(H,15,16)
InChIKeyYFJVEAPUDNHUHR-UHFFFAOYSA-N
XLogP2.85
TPSA68.29 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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 32672944
5-(aminomethyl)-2,4-dichloro-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 106071273
4-methoxy-2,3,5-trimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 110758398
5-bromo-2-methoxy-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 78955910
2-methyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 78955887
4-amino-2,6-dichloro-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 79234681
4-methoxy-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide
CID 110723752
2-bromo-4-fluoro-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 78955831
N-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 19683549
4-bromo-2-chloro-N-(3,5-dimethoxyphenyl)benzenesulfonamide
CID 7939100
2-(methylamino)-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 79240316
2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 110758794

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-N-(2-methyl-4-pyridinyl)benzenesulfonamide?
The IUPAC name of 2-chloro-4-methoxy-N-(2-methyl-4-pyridinyl)benzenesulfonamide (CID 110758843) is 2-chloro-4-methoxy-N-(2-methyl-4-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-methoxy-N-(2-methyl-4-pyridinyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-4-methoxy-N-(2-methyl-4-pyridinyl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccnc(C)c2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-methoxy-N-(2-methyl-4-pyridinyl)benzenesulfonamide?
The InChIKey is YFJVEAPUDNHUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3S/c1-9-7-10(5-6-15-9)16-20(17,18)13-4-3-11(19-2)8-12(13)14/h3-8H,1-2H3,(H,15,16).
What are the key properties of 2-chloro-4-methoxy-N-(2-methyl-4-pyridinyl)benzenesulfonamide?
2-chloro-4-methoxy-N-(2-methyl-4-pyridinyl)benzenesulfonamide has a molecular weight of 312.78 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxy-N-(2-methyl-4-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 110758843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).