4-[[4-(2-phenylpropyl)triazol-1-yl]methyl]benzenesulfonamide

C18H20N4O2S — CID 56715134

IUPAC4-[[4-(2-phenylpropyl)triazol-1-yl]methyl]benzenesulfonamide
SMILESCC(Cc1cn(Cc2ccc(S(N)(=O)=O)cc2)nn1)c1ccccc1
InChIInChI=1S/C18H20N4O2S/c1-14(16-5-3-2-4-6-16)11-17-13-22(21-20-17)12-15-7-9-18(10-8-15)25(19,23)24/h2-10,13-14H,11-12H2,1H3,(H2,19,23,24)
InChIKeyFWASKPSMONZPNW-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.32
Rot. Bonds6

About 4-[[4-(2-phenylpropyl)triazol-1-yl]methyl]benzenesulfonamide

4-[[4-(2-phenylpropyl)triazol-1-yl]methyl]benzenesulfonamide (PubChem CID 56715134) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 4-[[4-(2-phenylpropyl)triazol-1-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(2-phenylpropyl)triazol-1-yl]methyl]benzenesulfonamide
PubChem CID56715134
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name4-[[4-(2-phenylpropyl)triazol-1-yl]methyl]benzenesulfonamide
SMILESCC(Cc1cn(Cc2ccc(S(N)(=O)=O)cc2)nn1)c1ccccc1
InChIInChI=1S/C18H20N4O2S/c1-14(16-5-3-2-4-6-16)11-17-13-22(21-20-17)12-15-7-9-18(10-8-15)25(19,23)24/h2-10,13-14H,11-12H2,1H3,(H2,19,23,24)
InChIKeyFWASKPSMONZPNW-UHFFFAOYSA-N
XLogP2.32
TPSA90.87 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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(furan-3-ylmethyl)-4-[(2S)-2-phenylpropyl]triazole
CID 95227892
1-benzyl-4-[2-(3,4-dimethylphenyl)propyl]triazole
CID 112717972
1-benzyl-4-[2-(3,4-difluorophenyl)propyl]triazole
CID 112719017
1-benzyl-4-[2-(4-ethoxyphenyl)propyl]triazole
CID 112718617
2-amino-3-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]propanoic acid
CID 116735139
1-ethyl-4-[2-(3-propylsulfonylphenyl)propyl]triazole
CID 112717717
2-amino-3-(1-benzyltriazol-4-yl)propanoic acid
CID 24884626
dimethyl 2-[(1-benzyltriazol-4-yl)methyl]propanedioate
CID 132562921
2-[1-[(4-methylsulfonylphenyl)methyl]triazol-4-yl]ethanamine
CID 45490104
1,4-dibenzyltriazole
CID 56663361
4-[[4-(4-chlorophenyl)triazol-1-yl]methyl]benzenesulfonamide
CID 71723171
4-[[4-(4-methoxyphenyl)triazol-1-yl]methyl]benzenesulfonamide
CID 71723308

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-phenylpropyl)triazol-1-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-[[4-(2-phenylpropyl)triazol-1-yl]methyl]benzenesulfonamide (CID 56715134) is 4-[[4-(2-phenylpropyl)triazol-1-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[4-(2-phenylpropyl)triazol-1-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[4-(2-phenylpropyl)triazol-1-yl]methyl]benzenesulfonamide is CC(Cc1cn(Cc2ccc(S(N)(=O)=O)cc2)nn1)c1ccccc1.
What is the InChIKey of 4-[[4-(2-phenylpropyl)triazol-1-yl]methyl]benzenesulfonamide?
The InChIKey is FWASKPSMONZPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-14(16-5-3-2-4-6-16)11-17-13-22(21-20-17)12-15-7-9-18(10-8-15)25(19,23)24/h2-10,13-14H,11-12H2,1H3,(H2,19,23,24).
What are the key properties of 4-[[4-(2-phenylpropyl)triazol-1-yl]methyl]benzenesulfonamide?
4-[[4-(2-phenylpropyl)triazol-1-yl]methyl]benzenesulfonamide has a molecular weight of 356.45 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-phenylpropyl)triazol-1-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 56715134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).