N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-propylbenzenesulfonamide

C18H20N4O2S — CID 47062910

IUPACN-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2ccccc2-c2nncn2C)cc1
InChIInChI=1S/C18H20N4O2S/c1-3-6-14-9-11-15(12-10-14)25(23,24)21-17-8-5-4-7-16(17)18-20-19-13-22(18)2/h4-5,7-13,21H,3,6H2,1-2H3
InChIKeyGLWGQYOAHAFWDE-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.24
Rot. Bonds6

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

N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-propylbenzenesulfonamide (PubChem CID 47062910) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-propylbenzenesulfonamide
PubChem CID47062910
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC NameN-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2ccccc2-c2nncn2C)cc1
InChIInChI=1S/C18H20N4O2S/c1-3-6-14-9-11-15(12-10-14)25(23,24)21-17-8-5-4-7-16(17)18-20-19-13-22(18)2/h4-5,7-13,21H,3,6H2,1-2H3
InChIKeyGLWGQYOAHAFWDE-UHFFFAOYSA-N
XLogP3.24
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-4-propylbenzenesulfonamide
CID 17477746
5-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]thiophene-2-sulfonamide
CID 60532352
4-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]naphthalene-1-sulfonamide
CID 60579200
5-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
CID 47062898
4-butyl-N-(2-butylphenyl)benzenesulfonamide
CID 22774370
N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-[(2R)-oxolan-2-yl]ethanesulfonamide
CID 95975753
2-hydroxy-4-methyl-5-[[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]sulfamoyl]benzoic acid
CID 55767230
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide
CID 43706709
4-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide
CID 17444200
4-propyl-N-pyridin-2-ylbenzenesulfonamide
CID 3269642
N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 52699604

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-propylbenzenesulfonamide?
The IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-propylbenzenesulfonamide (CID 47062910) is N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-propylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-propylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)Nc2ccccc2-c2nncn2C)cc1.
What is the InChIKey of N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-propylbenzenesulfonamide?
The InChIKey is GLWGQYOAHAFWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-3-6-14-9-11-15(12-10-14)25(23,24)21-17-8-5-4-7-16(17)18-20-19-13-22(18)2/h4-5,7-13,21H,3,6H2,1-2H3.
What are the key properties of N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-propylbenzenesulfonamide?
N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-propylbenzenesulfonamide has a molecular weight of 356.45 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-propylbenzenesulfonamide is sourced from PubChem (CID 47062910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).