2-[benzenesulfonyl(methyl)amino]-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide

C16H16N6O3S — CID 47083800

IUPAC2-[benzenesulfonyl(methyl)amino]-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide
SMILESCN(CC(=O)Nc1cccnc1-n1cncn1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H16N6O3S/c1-21(26(24,25)13-6-3-2-4-7-13)10-15(23)20-14-8-5-9-18-16(14)22-12-17-11-19-22/h2-9,11-12H,10H2,1H3,(H,20,23)
InChIKeyYOTASKAJDFTRRT-UHFFFAOYSA-N
MW372.41 g/mol
LogP0.92
Rot. Bonds6

About 2-[benzenesulfonyl(methyl)amino]-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide

2-[benzenesulfonyl(methyl)amino]-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide (PubChem CID 47083800) has the molecular formula C16H16N6O3S and a molecular weight of 372.41 g/mol. Its IUPAC name is 2-[benzenesulfonyl(methyl)amino]-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(methyl)amino]-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide
PubChem CID47083800
Molecular FormulaC16H16N6O3S
Molecular Weight372.41 g/mol
Exact Mass372.10
IUPAC Name2-[benzenesulfonyl(methyl)amino]-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide
SMILESCN(CC(=O)Nc1cccnc1-n1cncn1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H16N6O3S/c1-21(26(24,25)13-6-3-2-4-7-13)10-15(23)20-14-8-5-9-18-16(14)22-12-17-11-19-22/h2-9,11-12H,10H2,1H3,(H,20,23)
InChIKeyYOTASKAJDFTRRT-UHFFFAOYSA-N
XLogP0.92
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methoxy-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide
CID 62046673
4-amino-3-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide
CID 81087312
(2S)-2-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide;dihydrochloride
CID 119859600
2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)acetamide
CID 55663160
4-oxo-4-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]but-2-enoic acid
CID 61167729
1-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanesulfonamide
CID 63665812
2-[benzenesulfonyl(methyl)amino]-N-(2,5-dibromophenyl)acetamide
CID 46404289
2-[benzenesulfonyl(methyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 26941914
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 16559003
4-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
CID 51983091
2-[benzenesulfonyl(methyl)amino]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 46404473
N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]adamantane-2-carboxamide
CID 167868250

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide?
The IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide (CID 47083800) is 2-[benzenesulfonyl(methyl)amino]-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(methyl)amino]-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-[benzenesulfonyl(methyl)amino]-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide is CN(CC(=O)Nc1cccnc1-n1cncn1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(methyl)amino]-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide?
The InChIKey is YOTASKAJDFTRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3S/c1-21(26(24,25)13-6-3-2-4-7-13)10-15(23)20-14-8-5-9-18-16(14)22-12-17-11-19-22/h2-9,11-12H,10H2,1H3,(H,20,23).
What are the key properties of 2-[benzenesulfonyl(methyl)amino]-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide?
2-[benzenesulfonyl(methyl)amino]-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide has a molecular weight of 372.41 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(methyl)amino]-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide is sourced from PubChem (CID 47083800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).