2-chloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide

C12H11ClN2O2S — CID 110727391

IUPAC2-chloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1cncc(NS(=O)(=O)c2ccccc2Cl)c1
InChIInChI=1S/C12H11ClN2O2S/c1-9-6-10(8-14-7-9)15-18(16,17)12-5-3-2-4-11(12)13/h2-8,15H,1H3
InChIKeySOWABLWKRNVBJB-UHFFFAOYSA-N
MW282.75 g/mol
LogP2.84
Rot. Bonds3

About 2-chloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide

2-chloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide (PubChem CID 110727391) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is 2-chloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
PubChem CID110727391
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC Name2-chloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1cncc(NS(=O)(=O)c2ccccc2Cl)c1
InChIInChI=1S/C12H11ClN2O2S/c1-9-6-10(8-14-7-9)15-18(16,17)12-5-3-2-4-11(12)13/h2-8,15H,1H3
InChIKeySOWABLWKRNVBJB-UHFFFAOYSA-N
XLogP2.84
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 110727340
1-(2-chlorophenyl)-N-(5-methyl-3-pyridinyl)methanesulfonamide
CID 110727363
5-chloro-2-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 110727388
2-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 25035216
5-amino-2-bromo-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584553
5-amino-2-fluoro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584501
3-amino-2,4-difluoro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584491
4-hydroxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107585953
2-chloro-N-(4-ethyl-3-methylphenyl)benzenesulfonamide
CID 70953981
5-cyano-2-methyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 103739261
4-methyl-3-[(5-methyl-3-pyridinyl)sulfamoyl]benzoic acid
CID 107584612
N-(2-methylbutyl)-2-[(5-methyl-3-pyridinyl)sulfamoyl]benzamide
CID 58924189

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide (CID 110727391) is 2-chloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide is Cc1cncc(NS(=O)(=O)c2ccccc2Cl)c1.
What is the InChIKey of 2-chloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
The InChIKey is SOWABLWKRNVBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c1-9-6-10(8-14-7-9)15-18(16,17)12-5-3-2-4-11(12)13/h2-8,15H,1H3.
What are the key properties of 2-chloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
2-chloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide has a molecular weight of 282.75 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 110727391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).