4-methyl-N-(6-methyl-3-pyridinyl)benzenesulfonamide

C13H14N2O2S — CID 84581619

IUPAC4-methyl-N-(6-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C)nc2)cc1
InChIInChI=1S/C13H14N2O2S/c1-10-3-7-13(8-4-10)18(16,17)15-12-6-5-11(2)14-9-12/h3-9,15H,1-2H3
InChIKeyYPVWLLXOPKMGKW-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.50
Rot. Bonds3

About 4-methyl-N-(6-methyl-3-pyridinyl)benzenesulfonamide

4-methyl-N-(6-methyl-3-pyridinyl)benzenesulfonamide (PubChem CID 84581619) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 4-methyl-N-(6-methyl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(6-methyl-3-pyridinyl)benzenesulfonamide
PubChem CID84581619
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name4-methyl-N-(6-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C)nc2)cc1
InChIInChI=1S/C13H14N2O2S/c1-10-3-7-13(8-4-10)18(16,17)15-12-6-5-11(2)14-9-12/h3-9,15H,1-2H3
InChIKeyYPVWLLXOPKMGKW-UHFFFAOYSA-N
XLogP2.50
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(methylamino)ethyl]-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 106073262
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
4-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide
CID 113017941
4-methyl-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016153
4-hydroxy-N-(6-methyl-3-pyridinyl)-3-nitrobenzenesulfonamide
CID 81496749
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
N-[6-(2-chloroanilino)-3-pyridinyl]-4-methylbenzenesulfonamide
CID 113018469
N-[6-(3-methoxypropylamino)-3-pyridinyl]-4-methylbenzenesulfonamide
CID 113010523
N-[6-(5-chloro-2-methylanilino)-3-pyridinyl]-4-methylbenzenesulfonamide
CID 113018806
4-methyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]benzenesulfonamide
CID 113012724
4-methyl-N-[4-(6-methylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 70703505
N-[4-(cyclopentylamino)phenyl]-4-methylbenzenesulfonamide
CID 70598205

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(6-methyl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(6-methyl-3-pyridinyl)benzenesulfonamide (CID 84581619) is 4-methyl-N-(6-methyl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(6-methyl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(6-methyl-3-pyridinyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(C)nc2)cc1.
What is the InChIKey of 4-methyl-N-(6-methyl-3-pyridinyl)benzenesulfonamide?
The InChIKey is YPVWLLXOPKMGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-10-3-7-13(8-4-10)18(16,17)15-12-6-5-11(2)14-9-12/h3-9,15H,1-2H3.
What are the key properties of 4-methyl-N-(6-methyl-3-pyridinyl)benzenesulfonamide?
4-methyl-N-(6-methyl-3-pyridinyl)benzenesulfonamide has a molecular weight of 262.33 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(6-methyl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 84581619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).