4-methyl-N-pyridin-3-ylbenzenesulfonamide

C12H12N2O2S — CID 757406

IUPAC4-methyl-N-pyridin-3-ylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccnc2)cc1
InChIInChI=1S/C12H12N2O2S/c1-10-4-6-12(7-5-10)17(15,16)14-11-3-2-8-13-9-11/h2-9,14H,1H3
InChIKeyJSNNVBLCQRJOQF-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.19
Rot. Bonds3

About 4-methyl-N-pyridin-3-ylbenzenesulfonamide

4-methyl-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 757406) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 4-methyl-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-pyridin-3-ylbenzenesulfonamide
PubChem CID757406
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name4-methyl-N-pyridin-3-ylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccnc2)cc1
InChIInChI=1S/C12H12N2O2S/c1-10-4-6-12(7-5-10)17(15,16)14-11-3-2-8-13-9-11/h2-9,14H,1H3
InChIKeyJSNNVBLCQRJOQF-UHFFFAOYSA-N
XLogP2.19
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.19
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-ylbenzenesulfonamide?
The IUPAC name of 4-methyl-N-pyridin-3-ylbenzenesulfonamide (CID 757406) is 4-methyl-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-methyl-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-methyl-N-pyridin-3-ylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccnc2)cc1.
What is the InChIKey of 4-methyl-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is JSNNVBLCQRJOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-10-4-6-12(7-5-10)17(15,16)14-11-3-2-8-13-9-11/h2-9,14H,1H3.
What are the key properties of 4-methyl-N-pyridin-3-ylbenzenesulfonamide?
4-methyl-N-pyridin-3-ylbenzenesulfonamide has a molecular weight of 248.31 g/mol, XLogP of 2.19, 3 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-ylbenzenesulfonamide is sourced from PubChem (CID 757406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).