3-acetyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide

C18H18N4O3S — CID 121176531

IUPAC3-acetyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NC(Cn2nccn2)c2ccccc2)c1
InChIInChI=1S/C18H18N4O3S/c1-14(23)16-8-5-9-17(12-16)26(24,25)21-18(13-22-19-10-11-20-22)15-6-3-2-4-7-15/h2-12,18,21H,13H2,1H3
InChIKeyZURVZFUKBUGOOC-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.20
Rot. Bonds7

About 3-acetyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide

3-acetyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 121176531) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 3-acetyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide
PubChem CID121176531
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name3-acetyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NC(Cn2nccn2)c2ccccc2)c1
InChIInChI=1S/C18H18N4O3S/c1-14(23)16-8-5-9-17(12-16)26(24,25)21-18(13-22-19-10-11-20-22)15-6-3-2-4-7-15/h2-12,18,21H,13H2,1H3
InChIKeyZURVZFUKBUGOOC-UHFFFAOYSA-N
XLogP2.20
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dimethyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide
CID 121176514
2-[(3-methylphenyl)sulfonylamino]-N-[1-phenyl-2-(triazol-2-yl)ethyl]acetamide
CID 121176289
3-acetyl-N-[(R)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 95145320
N-[1-phenyl-2-(triazol-2-yl)ethyl]propane-1-sulfonamide
CID 121176556
3-chloro-2-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide
CID 121018967
(2R)-2-[(3-acetylphenyl)sulfonylamino]propanoic acid
CID 29049479
N-[1-phenyl-2-(triazol-2-yl)ethyl]thiophene-2-sulfonamide
CID 119101653
(2R)-2-[(3-acetylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 29276801
1-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]imidazole-4-sulfonamide
CID 121176568
3-[[2-(dimethylamino)-1-phenylethyl]sulfamoyl]-N,N-dimethylbenzamide
CID 87024649
3-acetyl-N-hexan-3-ylbenzenesulfonamide
CID 55031108
3-acetyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 17435348

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-acetyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide (CID 121176531) is 3-acetyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)NC(Cn2nccn2)c2ccccc2)c1.
What is the InChIKey of 3-acetyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is ZURVZFUKBUGOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-14(23)16-8-5-9-17(12-16)26(24,25)21-18(13-22-19-10-11-20-22)15-6-3-2-4-7-15/h2-12,18,21H,13H2,1H3.
What are the key properties of 3-acetyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide?
3-acetyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 370.43 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 121176531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).