N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide

C19H18N2O2S — CID 110360446

IUPACN-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCc1ccc(N(Cc2cccnc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C19H18N2O2S/c1-16-9-11-18(12-10-16)21(15-17-6-5-13-20-14-17)24(22,23)19-7-3-2-4-8-19/h2-14H,15H2,1H3
InChIKeyCZAZCVZLZHWLPW-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.79
Rot. Bonds5

About N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide

N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 110360446) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID110360446
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC NameN-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCc1ccc(N(Cc2cccnc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C19H18N2O2S/c1-16-9-11-18(12-10-16)21(15-17-6-5-13-20-14-17)24(22,23)19-7-3-2-4-8-19/h2-14H,15H2,1H3
InChIKeyCZAZCVZLZHWLPW-UHFFFAOYSA-N
XLogP3.79
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360449
N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360936
4-acetyl-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360477
3-acetyl-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360476
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110360457
N-benzyl-4-methyl-N-(4-phenylphenyl)benzenesulfonamide
CID 162402411
N-benzyl-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 35766204
4-bromo-N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 52634270
4-methoxy-2-methyl-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360451
2-(N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 1137913
N-(4-fluorophenyl)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 110360869
N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 52634275

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 110360446) is N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide is Cc1ccc(N(Cc2cccnc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is CZAZCVZLZHWLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-16-9-11-18(12-10-16)21(15-17-6-5-13-20-14-17)24(22,23)19-7-3-2-4-8-19/h2-14H,15H2,1H3.
What are the key properties of N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide?
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 338.43 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 110360446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).