4-[4-(phenoxymethyl)triazol-1-yl]-N-(2-phenylethyl)benzenesulfonamide

C23H22N4O3S — CID 73355362

IUPAC4-[4-(phenoxymethyl)triazol-1-yl]-N-(2-phenylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCc1ccccc1)c1ccc(-n2cc(COc3ccccc3)nn2)cc1
InChIInChI=1S/C23H22N4O3S/c28-31(29,24-16-15-19-7-3-1-4-8-19)23-13-11-21(12-14-23)27-17-20(25-26-27)18-30-22-9-5-2-6-10-22/h1-14,17,24H,15-16,18H2
InChIKeySNNXFDZQWUQKPJ-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.37
Rot. Bonds9

About 4-[4-(phenoxymethyl)triazol-1-yl]-N-(2-phenylethyl)benzenesulfonamide

4-[4-(phenoxymethyl)triazol-1-yl]-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 73355362) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is 4-[4-(phenoxymethyl)triazol-1-yl]-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(phenoxymethyl)triazol-1-yl]-N-(2-phenylethyl)benzenesulfonamide
PubChem CID73355362
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC Name4-[4-(phenoxymethyl)triazol-1-yl]-N-(2-phenylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCc1ccccc1)c1ccc(-n2cc(COc3ccccc3)nn2)cc1
InChIInChI=1S/C23H22N4O3S/c28-31(29,24-16-15-19-7-3-1-4-8-19)23-13-11-21(12-14-23)27-17-20(25-26-27)18-30-22-9-5-2-6-10-22/h1-14,17,24H,15-16,18H2
InChIKeySNNXFDZQWUQKPJ-UHFFFAOYSA-N
XLogP3.37
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(phenoxymethyl)triazol-1-yl]-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 4-[4-(phenoxymethyl)triazol-1-yl]-N-(2-phenylethyl)benzenesulfonamide (CID 73355362) is 4-[4-(phenoxymethyl)triazol-1-yl]-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 4-[4-(phenoxymethyl)triazol-1-yl]-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 4-[4-(phenoxymethyl)triazol-1-yl]-N-(2-phenylethyl)benzenesulfonamide is O=S(=O)(NCCc1ccccc1)c1ccc(-n2cc(COc3ccccc3)nn2)cc1.
What is the InChIKey of 4-[4-(phenoxymethyl)triazol-1-yl]-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is SNNXFDZQWUQKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c28-31(29,24-16-15-19-7-3-1-4-8-19)23-13-11-21(12-14-23)27-17-20(25-26-27)18-30-22-9-5-2-6-10-22/h1-14,17,24H,15-16,18H2.
What are the key properties of 4-[4-(phenoxymethyl)triazol-1-yl]-N-(2-phenylethyl)benzenesulfonamide?
4-[4-(phenoxymethyl)triazol-1-yl]-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 434.52 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(phenoxymethyl)triazol-1-yl]-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 73355362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).