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

C17H16N4O3S — CID 166181364

IUPAC2-methyl-5-methylsulfonyl-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(-n2cnnc2)cc1
InChIInChI=1S/C17H16N4O3S/c1-12-3-8-15(25(2,23)24)9-16(12)17(22)20-13-4-6-14(7-5-13)21-10-18-19-11-21/h3-11H,1-2H3,(H,20,22)
InChIKeyOKFNKILKOYYHCR-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.23
Rot. Bonds4

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

2-methyl-5-methylsulfonyl-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide (PubChem CID 166181364) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is 2-methyl-5-methylsulfonyl-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-methyl-5-methylsulfonyl-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide
PubChem CID166181364
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC Name2-methyl-5-methylsulfonyl-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(-n2cnnc2)cc1
InChIInChI=1S/C17H16N4O3S/c1-12-3-8-15(25(2,23)24)9-16(12)17(22)20-13-4-6-14(7-5-13)21-10-18-19-11-21/h3-11H,1-2H3,(H,20,22)
InChIKeyOKFNKILKOYYHCR-UHFFFAOYSA-N
XLogP2.23
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-[4-[(2-methyl-5-methylsulfonylbenzoyl)amino]phenyl]pyrazole-3-carboxamide
CID 166183100
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N-[4-(4-aminopiperidin-1-yl)phenyl]-2-methyl-5-methylsulfonylbenzamide
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N-(3-chloro-4-methylphenyl)-2-methyl-5-methylsulfonylbenzamide
CID 26087165
N-[4-(cyclopropanecarbonylamino)phenyl]-2-methyl-5-methylsulfonylbenzamide
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N-(3,4-difluorophenyl)-2-methyl-5-methylsulfonylbenzamide
CID 9165720
2-methyl-N-(3-methylphenyl)-5-methylsulfonylbenzamide
CID 9341567
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-methyl-5-methylsulfonylbenzamide
CID 24636561
2-methyl-5-(methylsulfamoyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 55909075
N-(3-fluorophenyl)-2-methyl-5-methylsulfonylbenzamide
CID 9412429
2-methyl-5-methylsulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 86983152
N-(2,5-dimethylphenyl)-2-methyl-5-methylsulfonylbenzamide
CID 26909371

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylsulfonyl-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide?
The IUPAC name of 2-methyl-5-methylsulfonyl-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide (CID 166181364) is 2-methyl-5-methylsulfonyl-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide.
What is the SMILES notation for 2-methyl-5-methylsulfonyl-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide?
The canonical SMILES for 2-methyl-5-methylsulfonyl-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide is Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(-n2cnnc2)cc1.
What is the InChIKey of 2-methyl-5-methylsulfonyl-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide?
The InChIKey is OKFNKILKOYYHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-12-3-8-15(25(2,23)24)9-16(12)17(22)20-13-4-6-14(7-5-13)21-10-18-19-11-21/h3-11H,1-2H3,(H,20,22).
What are the key properties of 2-methyl-5-methylsulfonyl-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide?
2-methyl-5-methylsulfonyl-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide has a molecular weight of 356.41 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylsulfonyl-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide is sourced from PubChem (CID 166181364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).