4-methylsulfonyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide

C17H16N4O3S — CID 131927235

IUPAC4-methylsulfonyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
SMILESCc1nc(-c2cccc(NC(=O)c3ccc(S(C)(=O)=O)cc3)c2)n[nH]1
InChIInChI=1S/C17H16N4O3S/c1-11-18-16(21-20-11)13-4-3-5-14(10-13)19-17(22)12-6-8-15(9-7-12)25(2,23)24/h3-10H,1-2H3,(H,19,22)(H,18,20,21)
InChIKeyHIMFUOMNSCXAAF-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.44
Rot. Bonds4

About 4-methylsulfonyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide

4-methylsulfonyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide (PubChem CID 131927235) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is 4-methylsulfonyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-methylsulfonyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
PubChem CID131927235
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC Name4-methylsulfonyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
SMILESCc1nc(-c2cccc(NC(=O)c3ccc(S(C)(=O)=O)cc3)c2)n[nH]1
InChIInChI=1S/C17H16N4O3S/c1-11-18-16(21-20-11)13-4-3-5-14(10-13)19-17(22)12-6-8-15(9-7-12)25(2,23)24/h3-10H,1-2H3,(H,19,22)(H,18,20,21)
InChIKeyHIMFUOMNSCXAAF-UHFFFAOYSA-N
XLogP2.44
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(trifluoromethylsulfonyl)benzamide
CID 52668628
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 131900628
3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-pyrazole-5-carboxamide
CID 64525875
3-acetamido-4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 87011024
N-[3-(2-methyl-1,3-oxazol-4-yl)phenyl]-4-methylsulfonylbenzamide
CID 123196688
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(tetrazol-1-yl)benzamide
CID 136578425
4-bromo-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 60933061
2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 55982879
5-acetyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]thiophene-2-carboxamide
CID 131930308
2,4-dimethyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 136578426
2-(methylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60928275
3,5-dimethyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,2-oxazole-4-carboxamide
CID 131928767

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide?
The IUPAC name of 4-methylsulfonyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide (CID 131927235) is 4-methylsulfonyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide.
What is the SMILES notation for 4-methylsulfonyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide?
The canonical SMILES for 4-methylsulfonyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide is Cc1nc(-c2cccc(NC(=O)c3ccc(S(C)(=O)=O)cc3)c2)n[nH]1.
What is the InChIKey of 4-methylsulfonyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide?
The InChIKey is HIMFUOMNSCXAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-11-18-16(21-20-11)13-4-3-5-14(10-13)19-17(22)12-6-8-15(9-7-12)25(2,23)24/h3-10H,1-2H3,(H,19,22)(H,18,20,21).
What are the key properties of 4-methylsulfonyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide?
4-methylsulfonyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide has a molecular weight of 356.41 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide is sourced from PubChem (CID 131927235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).