2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide

C13H13ClN2O3S — CID 110758794

IUPAC2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccncc2)c(Cl)c1
InChIInChI=1S/C13H13ClN2O3S/c1-19-11-2-3-13(12(14)8-11)20(17,18)16-9-10-4-6-15-7-5-10/h2-8,16H,9H2,1H3
InChIKeyOLWGGYLJQWIHKT-UHFFFAOYSA-N
MW312.78 g/mol
LogP2.22
Rot. Bonds5

About 2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide

2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide (PubChem CID 110758794) has the molecular formula C13H13ClN2O3S and a molecular weight of 312.78 g/mol. Its IUPAC name is 2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
PubChem CID110758794
Molecular FormulaC13H13ClN2O3S
Molecular Weight312.78 g/mol
Exact Mass312.03
IUPAC Name2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccncc2)c(Cl)c1
InChIInChI=1S/C13H13ClN2O3S/c1-19-11-2-3-13(12(14)8-11)20(17,18)16-9-10-4-6-15-7-5-10/h2-8,16H,9H2,1H3
InChIKeyOLWGGYLJQWIHKT-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 786081
2-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-4-methylbenzenesulfonamide
CID 32681146
N-[(3,4-dichlorophenyl)methyl]-2,4-dimethoxybenzenesulfonamide
CID 17375973
N-butyl-2-chloro-4-methoxybenzenesulfonamide
CID 110758761
2,3-dichloro-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 2127166
4-chloro-2-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948090
2-amino-4-methoxy-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 60914928
N-benzyl-2,4-dimethoxybenzenesulfonamide
CID 17375991
2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 110763497
2-chloro-4-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 110758795
N-[(4-chlorophenyl)methyl]-4-methoxy-2-nitrobenzenesulfonamide
CID 19872494
2,4-dichloro-5-[(4-methoxyphenyl)methylsulfamoyl]benzoate
CID 2119292

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide (CID 110758794) is 2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2ccncc2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The InChIKey is OLWGGYLJQWIHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3S/c1-19-11-2-3-13(12(14)8-11)20(17,18)16-9-10-4-6-15-7-5-10/h2-8,16H,9H2,1H3.
What are the key properties of 2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide?
2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide has a molecular weight of 312.78 g/mol, XLogP of 2.22, 5 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-(pyridin-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 110758794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).