4-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)benzamide

C19H16N2O3S — CID 1310235

IUPAC4-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)benzamide
SMILESCc1ccnc(NC(=O)c2ccc(S(=O)(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C19H16N2O3S/c1-14-11-12-20-18(13-14)21-19(22)15-7-9-17(10-8-15)25(23,24)16-5-3-2-4-6-16/h2-13H,1H3,(H,20,21,22)
InChIKeyAQSCYVNHGFZPJR-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.48
Rot. Bonds4

About 4-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)benzamide

4-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)benzamide (PubChem CID 1310235) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)benzamide
PubChem CID1310235
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC Name4-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)benzamide
SMILESCc1ccnc(NC(=O)c2ccc(S(=O)(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C19H16N2O3S/c1-14-11-12-20-18(13-14)21-19(22)15-7-9-17(10-8-15)25(23,24)16-5-3-2-4-6-16/h2-13H,1H3,(H,20,21,22)
InChIKeyAQSCYVNHGFZPJR-UHFFFAOYSA-N
XLogP3.48
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)benzamide?
The IUPAC name of 4-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)benzamide (CID 1310235) is 4-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 4-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 4-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)benzamide is Cc1ccnc(NC(=O)c2ccc(S(=O)(=O)c3ccccc3)cc2)c1.
What is the InChIKey of 4-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)benzamide?
The InChIKey is AQSCYVNHGFZPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c1-14-11-12-20-18(13-14)21-19(22)15-7-9-17(10-8-15)25(23,24)16-5-3-2-4-6-16/h2-13H,1H3,(H,20,21,22).
What are the key properties of 4-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)benzamide?
4-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)benzamide has a molecular weight of 352.42 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-(4-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 1310235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).