2-(methanesulfonamido)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide

C17H17N5O3S — CID 78862640

IUPAC2-(methanesulfonamido)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
SMILESCS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(Cn2cncn2)cc1
InChIInChI=1S/C17H17N5O3S/c1-26(24,25)21-16-5-3-2-4-15(16)17(23)20-14-8-6-13(7-9-14)10-22-12-18-11-19-22/h2-9,11-12,21H,10H2,1H3,(H,20,23)
InChIKeyWKYGTLGAUIHCAI-UHFFFAOYSA-N
MW371.42 g/mol
LogP1.95
Rot. Bonds6

About 2-(methanesulfonamido)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide

2-(methanesulfonamido)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide (PubChem CID 78862640) has the molecular formula C17H17N5O3S and a molecular weight of 371.42 g/mol. Its IUPAC name is 2-(methanesulfonamido)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-(methanesulfonamido)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
PubChem CID78862640
Molecular FormulaC17H17N5O3S
Molecular Weight371.42 g/mol
Exact Mass371.11
IUPAC Name2-(methanesulfonamido)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
SMILESCS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(Cn2cncn2)cc1
InChIInChI=1S/C17H17N5O3S/c1-26(24,25)21-16-5-3-2-4-15(16)17(23)20-14-8-6-13(7-9-14)10-22-12-18-11-19-22/h2-9,11-12,21H,10H2,1H3,(H,20,23)
InChIKeyWKYGTLGAUIHCAI-UHFFFAOYSA-N
XLogP1.95
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(methanesulfonamido)phenyl]-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 75463300
(2S)-2-(methanesulfonamido)-3,3-dimethyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]butanamide
CID 97069979
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 42064323
N-[4-(methylcarbamoyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24603454
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24648421
2-(methanesulfonamido)-N-[4-[2-(propan-2-ylamino)ethyl]phenyl]benzamide
CID 139887400
N-(4-tert-butylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 51306669
N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyridine-3-carboxamide
CID 43073180
4-oxo-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 86929665
N-(2-ethylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 46394811
3-oxo-3-[4-(1,2,4-triazol-1-ylmethyl)anilino]propanoic acid
CID 62229939
3-chloro-2,2-dimethyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 63679034

Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide?
The IUPAC name of 2-(methanesulfonamido)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide (CID 78862640) is 2-(methanesulfonamido)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 2-(methanesulfonamido)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for 2-(methanesulfonamido)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide is CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(Cn2cncn2)cc1.
What is the InChIKey of 2-(methanesulfonamido)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide?
The InChIKey is WKYGTLGAUIHCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S/c1-26(24,25)21-16-5-3-2-4-15(16)17(23)20-14-8-6-13(7-9-14)10-22-12-18-11-19-22/h2-9,11-12,21H,10H2,1H3,(H,20,23).
What are the key properties of 2-(methanesulfonamido)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide?
2-(methanesulfonamido)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide has a molecular weight of 371.42 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 78862640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).