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

C13H14N2O2S — CID 795996

IUPAC4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2cccnc2)cc1
InChIInChI=1S/C13H14N2O2S/c1-11-4-6-13(7-5-11)18(16,17)15-10-12-3-2-8-14-9-12/h2-9,15H,10H2,1H3
InChIKeyBHOOPQZQRVONAL-UHFFFAOYSA-N
MW262.33 g/mol
LogP1.87
Rot. Bonds4

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

4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 795996) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID795996
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2cccnc2)cc1
InChIInChI=1S/C13H14N2O2S/c1-11-4-6-13(7-5-11)18(16,17)15-10-12-3-2-8-14-9-12/h2-9,15H,10H2,1H3
InChIKeyBHOOPQZQRVONAL-UHFFFAOYSA-N
XLogP1.87
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 795996) is 4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2cccnc2)cc1.
What is the InChIKey of 4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is BHOOPQZQRVONAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-11-4-6-13(7-5-11)18(16,17)15-10-12-3-2-8-14-9-12/h2-9,15H,10H2,1H3.
What are the key properties of 4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 262.33 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 795996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).