4-(methanesulfonamido)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide

C17H17N5O3S — CID 86776880

IUPAC4-(methanesulfonamido)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
SMILESCc1nc(-c2ccccc2NC(=O)c2ccc(NS(C)(=O)=O)cc2)n[nH]1
InChIInChI=1S/C17H17N5O3S/c1-11-18-16(21-20-11)14-5-3-4-6-15(14)19-17(23)12-7-9-13(10-8-12)22-26(2,24)25/h3-10,22H,1-2H3,(H,19,23)(H,18,20,21)
InChIKeyOBSDKHQUHOWHHF-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.40
Rot. Bonds5

About 4-(methanesulfonamido)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide

4-(methanesulfonamido)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide (PubChem CID 86776880) has the molecular formula C17H17N5O3S and a molecular weight of 371.42 g/mol. Its IUPAC name is 4-(methanesulfonamido)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(methanesulfonamido)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
PubChem CID86776880
Molecular FormulaC17H17N5O3S
Molecular Weight371.42 g/mol
Exact Mass371.11
IUPAC Name4-(methanesulfonamido)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
SMILESCc1nc(-c2ccccc2NC(=O)c2ccc(NS(C)(=O)=O)cc2)n[nH]1
InChIInChI=1S/C17H17N5O3S/c1-11-18-16(21-20-11)14-5-3-4-6-15(14)19-17(23)12-7-9-13(10-8-12)22-26(2,24)25/h3-10,22H,1-2H3,(H,19,23)(H,18,20,21)
InChIKeyOBSDKHQUHOWHHF-UHFFFAOYSA-N
XLogP2.40
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]thiophene-3-carboxamide
CID 60956125
4-(phenylsulfamoyl)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 47068379
2-chloro-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide
CID 43698496
4-(methanesulfonamido)-N-(2-propan-2-ylphenyl)benzamide
CID 51179900
2-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide
CID 47423979
2-methyl-3-[2-(5-methyl-1H-1,2,4-triazol-3-yl)anilino]-3-oxopropanoic acid
CID 114897949
N-(4-iodo-2-methylphenyl)-4-(methanesulfonamido)benzamide
CID 1249872
ethyl 4-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]benzoate
CID 138989702
4-(methylamino)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide
CID 60841888
N-(4-iodophenyl)-4-(methanesulfonamido)benzamide
CID 1289280
4-fluoro-N-[2-(methanesulfonamido)phenyl]benzamide
CID 35368090
N-butan-2-yl-2-[[4-(methanesulfonamido)benzoyl]amino]benzamide
CID 2968059

Frequently Asked Questions

What is the IUPAC name of 4-(methanesulfonamido)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide?
The IUPAC name of 4-(methanesulfonamido)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide (CID 86776880) is 4-(methanesulfonamido)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide.
What is the SMILES notation for 4-(methanesulfonamido)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide?
The canonical SMILES for 4-(methanesulfonamido)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide is Cc1nc(-c2ccccc2NC(=O)c2ccc(NS(C)(=O)=O)cc2)n[nH]1.
What is the InChIKey of 4-(methanesulfonamido)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide?
The InChIKey is OBSDKHQUHOWHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S/c1-11-18-16(21-20-11)14-5-3-4-6-15(14)19-17(23)12-7-9-13(10-8-12)22-26(2,24)25/h3-10,22H,1-2H3,(H,19,23)(H,18,20,21).
What are the key properties of 4-(methanesulfonamido)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide?
4-(methanesulfonamido)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide has a molecular weight of 371.42 g/mol, XLogP of 2.40, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methanesulfonamido)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide is sourced from PubChem (CID 86776880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).