4-[2-(4-phenyltriazol-1-yl)ethyl]benzenesulfonamide

C16H16N4O2S — CID 71723309

IUPAC4-[2-(4-phenyltriazol-1-yl)ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCn2cc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C16H16N4O2S/c17-23(21,22)15-8-6-13(7-9-15)10-11-20-12-16(18-19-20)14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H2,17,21,22)
InChIKeyCMUMSCGMRBNTLN-UHFFFAOYSA-N
MW328.40 g/mol
LogP1.84
Rot. Bonds5

About 4-[2-(4-phenyltriazol-1-yl)ethyl]benzenesulfonamide

4-[2-(4-phenyltriazol-1-yl)ethyl]benzenesulfonamide (PubChem CID 71723309) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 4-[2-(4-phenyltriazol-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-phenyltriazol-1-yl)ethyl]benzenesulfonamide
PubChem CID71723309
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name4-[2-(4-phenyltriazol-1-yl)ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCn2cc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C16H16N4O2S/c17-23(21,22)15-8-6-13(7-9-15)10-11-20-12-16(18-19-20)14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H2,17,21,22)
InChIKeyCMUMSCGMRBNTLN-UHFFFAOYSA-N
XLogP1.84
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-phenyltriazol-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-(4-phenyltriazol-1-yl)ethyl]benzenesulfonamide (CID 71723309) is 4-[2-(4-phenyltriazol-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(4-phenyltriazol-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(4-phenyltriazol-1-yl)ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCn2cc(-c3ccccc3)nn2)cc1.
What is the InChIKey of 4-[2-(4-phenyltriazol-1-yl)ethyl]benzenesulfonamide?
The InChIKey is CMUMSCGMRBNTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c17-23(21,22)15-8-6-13(7-9-15)10-11-20-12-16(18-19-20)14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H2,17,21,22).
What are the key properties of 4-[2-(4-phenyltriazol-1-yl)ethyl]benzenesulfonamide?
4-[2-(4-phenyltriazol-1-yl)ethyl]benzenesulfonamide has a molecular weight of 328.40 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-phenyltriazol-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 71723309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).