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

C14H11FN4O2S — CID 44577804

IUPAC4-[4-(4-fluorophenyl)triazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cc(-c3ccc(F)cc3)nn2)cc1
InChIInChI=1S/C14H11FN4O2S/c15-11-3-1-10(2-4-11)14-9-19(18-17-14)12-5-7-13(8-6-12)22(16,20)21/h1-9H,(H2,16,20,21)
InChIKeyIJWQBNAFHFXHGD-UHFFFAOYSA-N
MW318.33 g/mol
LogP1.72
Rot. Bonds3

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

4-[4-(4-fluorophenyl)triazol-1-yl]benzenesulfonamide (PubChem CID 44577804) has the molecular formula C14H11FN4O2S and a molecular weight of 318.33 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)triazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)triazol-1-yl]benzenesulfonamide
PubChem CID44577804
Molecular FormulaC14H11FN4O2S
Molecular Weight318.33 g/mol
Exact Mass318.06
IUPAC Name4-[4-(4-fluorophenyl)triazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cc(-c3ccc(F)cc3)nn2)cc1
InChIInChI=1S/C14H11FN4O2S/c15-11-3-1-10(2-4-11)14-9-19(18-17-14)12-5-7-13(8-6-12)22(16,20)21/h1-9H,(H2,16,20,21)
InChIKeyIJWQBNAFHFXHGD-UHFFFAOYSA-N
XLogP1.72
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)triazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(4-fluorophenyl)triazol-1-yl]benzenesulfonamide (CID 44577804) is 4-[4-(4-fluorophenyl)triazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(4-fluorophenyl)triazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(4-fluorophenyl)triazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2cc(-c3ccc(F)cc3)nn2)cc1.
What is the InChIKey of 4-[4-(4-fluorophenyl)triazol-1-yl]benzenesulfonamide?
The InChIKey is IJWQBNAFHFXHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O2S/c15-11-3-1-10(2-4-11)14-9-19(18-17-14)12-5-7-13(8-6-12)22(16,20)21/h1-9H,(H2,16,20,21).
What are the key properties of 4-[4-(4-fluorophenyl)triazol-1-yl]benzenesulfonamide?
4-[4-(4-fluorophenyl)triazol-1-yl]benzenesulfonamide has a molecular weight of 318.33 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)triazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 44577804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).