4-methylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide

C15H13N5O3S — CID 25344012

IUPAC4-methylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2ccc(-n3cncn3)nc2)cc1
InChIInChI=1S/C15H13N5O3S/c1-24(22,23)13-5-2-11(3-6-13)15(21)19-12-4-7-14(17-8-12)20-10-16-9-18-20/h2-10H,1H3,(H,19,21)
InChIKeyJNGBPJLQABLJAK-UHFFFAOYSA-N
MW343.37 g/mol
LogP1.32
Rot. Bonds4

About 4-methylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide

4-methylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide (PubChem CID 25344012) has the molecular formula C15H13N5O3S and a molecular weight of 343.37 g/mol. Its IUPAC name is 4-methylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-methylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
PubChem CID25344012
Molecular FormulaC15H13N5O3S
Molecular Weight343.37 g/mol
Exact Mass343.07
IUPAC Name4-methylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2ccc(-n3cncn3)nc2)cc1
InChIInChI=1S/C15H13N5O3S/c1-24(22,23)13-5-2-11(3-6-13)15(21)19-12-4-7-14(17-8-12)20-10-16-9-18-20/h2-10H,1H3,(H,19,21)
InChIKeyJNGBPJLQABLJAK-UHFFFAOYSA-N
XLogP1.32
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1H-pyrazol-4-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 43429763
4-ethyl-3-morpholin-4-ylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
CID 30840943
3-amino-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 104741251
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 112811666
3-amino-2-methyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
CID 62669805
2-methyl-3-(methylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
CID 79195681
1-(benzenesulfonyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopentane-1-carboxamide
CID 30765886
4-(methylsulfonylmethyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 37121988
1-methyl-1-(3-methylbutan-2-yl)-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea
CID 75461242
4-chloro-2-methoxy-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
CID 51095167
N-(1-methylpyrazol-4-yl)-4-methylsulfonylbenzamide
CID 32604546
2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
CID 30806019

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide?
The IUPAC name of 4-methylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide (CID 25344012) is 4-methylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-methylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide?
The canonical SMILES for 4-methylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide is CS(=O)(=O)c1ccc(C(=O)Nc2ccc(-n3cncn3)nc2)cc1.
What is the InChIKey of 4-methylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide?
The InChIKey is JNGBPJLQABLJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O3S/c1-24(22,23)13-5-2-11(3-6-13)15(21)19-12-4-7-14(17-8-12)20-10-16-9-18-20/h2-10H,1H3,(H,19,21).
What are the key properties of 4-methylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide?
4-methylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide has a molecular weight of 343.37 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide is sourced from PubChem (CID 25344012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).