2,4-dimethyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide

C18H20N4O2S — CID 121176514

IUPAC2,4-dimethyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(Cn2nccn2)c2ccccc2)c(C)c1
InChIInChI=1S/C18H20N4O2S/c1-14-8-9-18(15(2)12-14)25(23,24)21-17(13-22-19-10-11-20-22)16-6-4-3-5-7-16/h3-12,17,21H,13H2,1-2H3
InChIKeyWRNUWKOSZIZPHG-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.61
Rot. Bonds6

About 2,4-dimethyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide

2,4-dimethyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 121176514) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 2,4-dimethyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide
PubChem CID121176514
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name2,4-dimethyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(Cn2nccn2)c2ccccc2)c(C)c1
InChIInChI=1S/C18H20N4O2S/c1-14-8-9-18(15(2)12-14)25(23,24)21-17(13-22-19-10-11-20-22)16-6-4-3-5-7-16/h3-12,17,21H,13H2,1-2H3
InChIKeyWRNUWKOSZIZPHG-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-2-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide
CID 121018967
N-benzhydryl-2,4-dimethylbenzenesulfonamide
CID 19681706
3-acetyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide
CID 121176531
N-[1-phenyl-2-(triazol-2-yl)ethyl]propane-1-sulfonamide
CID 121176556
3,5-dimethyl-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-4-sulfonamide
CID 124761115
N-[1-phenyl-2-(triazol-2-yl)ethyl]thiophene-2-sulfonamide
CID 119101653
1-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]imidazole-4-sulfonamide
CID 121176568
2-[(3-methylphenyl)sulfonylamino]-N-[1-phenyl-2-(triazol-2-yl)ethyl]acetamide
CID 121176289
1-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]-2-propan-2-ylimidazole-4-sulfonamide
CID 121176610
2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzenesulfonamide
CID 103825688
2-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzenesulfonamide
CID 107861957
N-(2-amino-1-phenylethyl)-4-methylbenzenesulfonamide
CID 18003405

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide (CID 121176514) is 2,4-dimethyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NC(Cn2nccn2)c2ccccc2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is WRNUWKOSZIZPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-14-8-9-18(15(2)12-14)25(23,24)21-17(13-22-19-10-11-20-22)16-6-4-3-5-7-16/h3-12,17,21H,13H2,1-2H3.
What are the key properties of 2,4-dimethyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide?
2,4-dimethyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 356.45 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 121176514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).