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

C18H20N4O2S — CID 55901351

IUPAC3-methyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccccc2-c2n[nH]c(C(C)C)n2)c1
InChIInChI=1S/C18H20N4O2S/c1-12(2)17-19-18(21-20-17)15-9-4-5-10-16(15)22-25(23,24)14-8-6-7-13(3)11-14/h4-12,22H,1-3H3,(H,19,20,21)
InChIKeyBINATEJFMTTZNW-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.70
Rot. Bonds5

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

3-methyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide (PubChem CID 55901351) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 3-methyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
PubChem CID55901351
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name3-methyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccccc2-c2n[nH]c(C(C)C)n2)c1
InChIInChI=1S/C18H20N4O2S/c1-12(2)17-19-18(21-20-17)15-9-4-5-10-16(15)22-25(23,24)14-8-6-7-13(3)11-14/h4-12,22H,1-3H3,(H,19,20,21)
InChIKeyBINATEJFMTTZNW-UHFFFAOYSA-N
XLogP3.70
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
CID 52700448
4-methoxy-3-methyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
CID 60534452
3-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 3384228
3-methyl-N-[2-(6-methylquinolin-2-yl)phenyl]benzenesulfonamide
CID 46376242
4-(phenylsulfamoyl)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 47068379
N-(2-butan-2-ylphenyl)-3-methylbenzenesulfonamide
CID 25036710
8-fluoro-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]quinoline-5-sulfonamide
CID 60534420
N-(2-iodophenyl)-3-methylbenzenesulfonamide
CID 47104358
N-(2,5-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104321
N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104337
(2S)-2-amino-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]propanamide;hydrochloride
CID 119296859
3-methyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 110779087

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3-methyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide (CID 55901351) is 3-methyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-methyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2ccccc2-c2n[nH]c(C(C)C)n2)c1.
What is the InChIKey of 3-methyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide?
The InChIKey is BINATEJFMTTZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-12(2)17-19-18(21-20-17)15-9-4-5-10-16(15)22-25(23,24)14-8-6-7-13(3)11-14/h4-12,22H,1-3H3,(H,19,20,21).
What are the key properties of 3-methyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide?
3-methyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide has a molecular weight of 356.45 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 55901351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).