3-(methylsulfinylmethyl)-N-[2-(triazol-1-yl)phenyl]benzamide

C17H16N4O2S — CID 75517599

IUPAC3-(methylsulfinylmethyl)-N-[2-(triazol-1-yl)phenyl]benzamide
SMILESCS(=O)Cc1cccc(C(=O)Nc2ccccc2-n2ccnn2)c1
InChIInChI=1S/C17H16N4O2S/c1-24(23)12-13-5-4-6-14(11-13)17(22)19-15-7-2-3-8-16(15)21-10-9-18-20-21/h2-11H,12H2,1H3,(H,19,22)
InChIKeyAJSHIZAFUZKTSN-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.40
Rot. Bonds5

About 3-(methylsulfinylmethyl)-N-[2-(triazol-1-yl)phenyl]benzamide

3-(methylsulfinylmethyl)-N-[2-(triazol-1-yl)phenyl]benzamide (PubChem CID 75517599) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 3-(methylsulfinylmethyl)-N-[2-(triazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-(methylsulfinylmethyl)-N-[2-(triazol-1-yl)phenyl]benzamide
PubChem CID75517599
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name3-(methylsulfinylmethyl)-N-[2-(triazol-1-yl)phenyl]benzamide
SMILESCS(=O)Cc1cccc(C(=O)Nc2ccccc2-n2ccnn2)c1
InChIInChI=1S/C17H16N4O2S/c1-24(23)12-13-5-4-6-14(11-13)17(22)19-15-7-2-3-8-16(15)21-10-9-18-20-21/h2-11H,12H2,1H3,(H,19,22)
InChIKeyAJSHIZAFUZKTSN-UHFFFAOYSA-N
XLogP2.40
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(methylsulfinylmethyl)-N-[2-(triazol-1-yl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydroxyphenyl)-3-(methylsulfinylmethyl)benzamide
CID 46678639
N-[2-(triazol-1-yl)phenyl]pyridazine-4-carboxamide
CID 75448348
2-fluoro-N-[2-(triazol-1-yl)phenyl]pyridine-4-carboxamide
CID 61294563
3-(methylsulfinylmethyl)-N-pyridin-2-ylbenzamide
CID 46511648
N-(4-acetylphenyl)-3-(methylsulfinylmethyl)benzamide
CID 134032815
N-[3-(methylcarbamoyl)phenyl]-3-(methylsulfinylmethyl)benzamide
CID 18146301
3-chloro-2,2-dimethyl-N-[2-(triazol-1-yl)phenyl]propanamide
CID 63678665
(2S)-2-amino-N-[2-(triazol-1-yl)phenyl]butanamide
CID 79025471
2-bromo-N-[2-(triazol-1-yl)phenyl]furan-3-carboxamide
CID 106853061
N-[2-(triazol-1-yl)phenyl]but-2-enamide
CID 112729497
(2R)-2-amino-N-[2-(triazol-1-yl)phenyl]propanamide
CID 54991404
3-amino-N-[2-(triazol-1-yl)phenyl]pyridine-2-carboxamide
CID 104741177

Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfinylmethyl)-N-[2-(triazol-1-yl)phenyl]benzamide?
The IUPAC name of 3-(methylsulfinylmethyl)-N-[2-(triazol-1-yl)phenyl]benzamide (CID 75517599) is 3-(methylsulfinylmethyl)-N-[2-(triazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 3-(methylsulfinylmethyl)-N-[2-(triazol-1-yl)phenyl]benzamide?
The canonical SMILES for 3-(methylsulfinylmethyl)-N-[2-(triazol-1-yl)phenyl]benzamide is CS(=O)Cc1cccc(C(=O)Nc2ccccc2-n2ccnn2)c1.
What is the InChIKey of 3-(methylsulfinylmethyl)-N-[2-(triazol-1-yl)phenyl]benzamide?
The InChIKey is AJSHIZAFUZKTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-24(23)12-13-5-4-6-14(11-13)17(22)19-15-7-2-3-8-16(15)21-10-9-18-20-21/h2-11H,12H2,1H3,(H,19,22).
What are the key properties of 3-(methylsulfinylmethyl)-N-[2-(triazol-1-yl)phenyl]benzamide?
3-(methylsulfinylmethyl)-N-[2-(triazol-1-yl)phenyl]benzamide has a molecular weight of 340.41 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfinylmethyl)-N-[2-(triazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 75517599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).