4-(benzenesulfonyl)-3-methyl-N-pyridin-3-ylbenzamide

C19H16N2O3S — CID 66634725

IUPAC4-(benzenesulfonyl)-3-methyl-N-pyridin-3-ylbenzamide
SMILESCc1cc(C(=O)Nc2cccnc2)ccc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H16N2O3S/c1-14-12-15(19(22)21-16-6-5-11-20-13-16)9-10-18(14)25(23,24)17-7-3-2-4-8-17/h2-13H,1H3,(H,21,22)
InChIKeyBYIYGPNGSTZQAK-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.48
Rot. Bonds4

About 4-(benzenesulfonyl)-3-methyl-N-pyridin-3-ylbenzamide

4-(benzenesulfonyl)-3-methyl-N-pyridin-3-ylbenzamide (PubChem CID 66634725) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-3-methyl-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-3-methyl-N-pyridin-3-ylbenzamide
PubChem CID66634725
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC Name4-(benzenesulfonyl)-3-methyl-N-pyridin-3-ylbenzamide
SMILESCc1cc(C(=O)Nc2cccnc2)ccc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H16N2O3S/c1-14-12-15(19(22)21-16-6-5-11-20-13-16)9-10-18(14)25(23,24)17-7-3-2-4-8-17/h2-13H,1H3,(H,21,22)
InChIKeyBYIYGPNGSTZQAK-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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Related Compounds

4-hydrazinyl-3-methyl-N-pyridin-3-ylbenzamide
CID 63212144
3-methyl-4-(propylamino)-N-pyridin-3-ylbenzamide
CID 63210058
4-(4-chlorophenyl)sulfonyl-N-pyridin-3-ylbenzamide
CID 1117984
N-pyridin-3-yl-3-sulfamoylbenzamide
CID 164627954
N-pyridin-3-ylbenzamide;dihydrochloride
CID 174671785
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
1,3-dimethyl-N-pyridin-3-ylindole-5-carboxamide
CID 145363454
4-tert-butyl-N-pyridin-3-ylbenzamide
CID 676176
3-phenyl-N-pyridin-3-ylbenzamide
CID 110723041
ethane;3-methyl-N-pyridin-3-ylbenzamide
CID 145409327
3-piperidin-1-ylsulfonyl-N-pyridin-3-ylbenzamide
CID 812621
2-[2-(benzenesulfonyl)-4-propan-2-ylanilino]-N-pyridin-3-ylacetamide
CID 22304868

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-3-methyl-N-pyridin-3-ylbenzamide?
The IUPAC name of 4-(benzenesulfonyl)-3-methyl-N-pyridin-3-ylbenzamide (CID 66634725) is 4-(benzenesulfonyl)-3-methyl-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-(benzenesulfonyl)-3-methyl-N-pyridin-3-ylbenzamide?
The canonical SMILES for 4-(benzenesulfonyl)-3-methyl-N-pyridin-3-ylbenzamide is Cc1cc(C(=O)Nc2cccnc2)ccc1S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-(benzenesulfonyl)-3-methyl-N-pyridin-3-ylbenzamide?
The InChIKey is BYIYGPNGSTZQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c1-14-12-15(19(22)21-16-6-5-11-20-13-16)9-10-18(14)25(23,24)17-7-3-2-4-8-17/h2-13H,1H3,(H,21,22).
What are the key properties of 4-(benzenesulfonyl)-3-methyl-N-pyridin-3-ylbenzamide?
4-(benzenesulfonyl)-3-methyl-N-pyridin-3-ylbenzamide 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)-3-methyl-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 66634725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).