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

C15H14N4O2S — CID 52669079

IUPACN-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
SMILESCc1nc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)n[nH]1
InChIInChI=1S/C15H14N4O2S/c1-11-16-15(18-17-11)12-6-5-7-13(10-12)19-22(20,21)14-8-3-2-4-9-14/h2-10,19H,1H3,(H,16,17,18)
InChIKeyQKWHJDSZZBGNJR-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.58
Rot. Bonds4

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

N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide (PubChem CID 52669079) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
PubChem CID52669079
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC NameN-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
SMILESCc1nc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)n[nH]1
InChIInChI=1S/C15H14N4O2S/c1-11-16-15(18-17-11)12-6-5-7-13(10-12)19-22(20,21)14-8-3-2-4-9-14/h2-10,19H,1H3,(H,16,17,18)
InChIKeyQKWHJDSZZBGNJR-UHFFFAOYSA-N
XLogP2.58
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-bromo-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methanesulfonamide
CID 83092793
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 684183
2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 55982879
4-methylsulfonyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 131927235
N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
CID 110725699
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(trifluoromethylsulfonyl)benzamide
CID 52668628
2-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-phenylacetamide
CID 122157227
2-(methylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60928275
N-[(2-methylphenyl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
CID 60935634
2-methoxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60911506
3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide
CID 54862643
4-methoxy-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 110720303

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide?
The IUPAC name of N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide (CID 52669079) is N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide is Cc1nc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)n[nH]1.
What is the InChIKey of N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide?
The InChIKey is QKWHJDSZZBGNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-11-16-15(18-17-11)12-6-5-7-13(10-12)19-22(20,21)14-8-3-2-4-9-14/h2-10,19H,1H3,(H,16,17,18).
What are the key properties of N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide?
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide has a molecular weight of 314.37 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 52669079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).