4-[2-[4-(4-fluorophenyl)triazol-1-yl]ethyl]benzenesulfonamide

C16H15FN4O2S — CID 71723310

IUPAC4-[2-[4-(4-fluorophenyl)triazol-1-yl]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCn2cc(-c3ccc(F)cc3)nn2)cc1
InChIInChI=1S/C16H15FN4O2S/c17-14-5-3-13(4-6-14)16-11-21(20-19-16)10-9-12-1-7-15(8-2-12)24(18,22)23/h1-8,11H,9-10H2,(H2,18,22,23)
InChIKeyNDLMVZATUZAJOJ-UHFFFAOYSA-N
MW346.39 g/mol
LogP1.97
Rot. Bonds5

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

4-[2-[4-(4-fluorophenyl)triazol-1-yl]ethyl]benzenesulfonamide (PubChem CID 71723310) has the molecular formula C16H15FN4O2S and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-[2-[4-(4-fluorophenyl)triazol-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[4-(4-fluorophenyl)triazol-1-yl]ethyl]benzenesulfonamide
PubChem CID71723310
Molecular FormulaC16H15FN4O2S
Molecular Weight346.39 g/mol
Exact Mass346.09
IUPAC Name4-[2-[4-(4-fluorophenyl)triazol-1-yl]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCn2cc(-c3ccc(F)cc3)nn2)cc1
InChIInChI=1S/C16H15FN4O2S/c17-14-5-3-13(4-6-14)16-11-21(20-19-16)10-9-12-1-7-15(8-2-12)24(18,22)23/h1-8,11H,9-10H2,(H2,18,22,23)
InChIKeyNDLMVZATUZAJOJ-UHFFFAOYSA-N
XLogP1.97
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-fluorophenyl)triazol-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[4-(4-fluorophenyl)triazol-1-yl]ethyl]benzenesulfonamide (CID 71723310) is 4-[2-[4-(4-fluorophenyl)triazol-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[4-(4-fluorophenyl)triazol-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[4-(4-fluorophenyl)triazol-1-yl]ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCn2cc(-c3ccc(F)cc3)nn2)cc1.
What is the InChIKey of 4-[2-[4-(4-fluorophenyl)triazol-1-yl]ethyl]benzenesulfonamide?
The InChIKey is NDLMVZATUZAJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2S/c17-14-5-3-13(4-6-14)16-11-21(20-19-16)10-9-12-1-7-15(8-2-12)24(18,22)23/h1-8,11H,9-10H2,(H2,18,22,23).
What are the key properties of 4-[2-[4-(4-fluorophenyl)triazol-1-yl]ethyl]benzenesulfonamide?
4-[2-[4-(4-fluorophenyl)triazol-1-yl]ethyl]benzenesulfonamide has a molecular weight of 346.39 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-fluorophenyl)triazol-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 71723310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).