3-(4-butyltriazol-1-yl)-N-(2-fluorophenyl)benzenesulfonamide

C18H19FN4O2S — CID 155563669

IUPAC3-(4-butyltriazol-1-yl)-N-(2-fluorophenyl)benzenesulfonamide
SMILESCCCCc1cn(-c2cccc(S(=O)(=O)Nc3ccccc3F)c2)nn1
InChIInChI=1S/C18H19FN4O2S/c1-2-3-7-14-13-23(22-20-14)15-8-6-9-16(12-15)26(24,25)21-18-11-5-4-10-17(18)19/h4-6,8-13,21H,2-3,7H2,1H3
InChIKeyQAYVSYXWOGJPFE-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.55
Rot. Bonds7

About 3-(4-butyltriazol-1-yl)-N-(2-fluorophenyl)benzenesulfonamide

3-(4-butyltriazol-1-yl)-N-(2-fluorophenyl)benzenesulfonamide (PubChem CID 155563669) has the molecular formula C18H19FN4O2S and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-(4-butyltriazol-1-yl)-N-(2-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(4-butyltriazol-1-yl)-N-(2-fluorophenyl)benzenesulfonamide
PubChem CID155563669
Molecular FormulaC18H19FN4O2S
Molecular Weight374.44 g/mol
Exact Mass374.12
IUPAC Name3-(4-butyltriazol-1-yl)-N-(2-fluorophenyl)benzenesulfonamide
SMILESCCCCc1cn(-c2cccc(S(=O)(=O)Nc3ccccc3F)c2)nn1
InChIInChI=1S/C18H19FN4O2S/c1-2-3-7-14-13-23(22-20-14)15-8-6-9-16(12-15)26(24,25)21-18-11-5-4-10-17(18)19/h4-6,8-13,21H,2-3,7H2,1H3
InChIKeyQAYVSYXWOGJPFE-UHFFFAOYSA-N
XLogP3.55
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-butyltriazol-1-yl)-N-(2-fluorophenyl)benzenesulfonamide?
The IUPAC name of 3-(4-butyltriazol-1-yl)-N-(2-fluorophenyl)benzenesulfonamide (CID 155563669) is 3-(4-butyltriazol-1-yl)-N-(2-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 3-(4-butyltriazol-1-yl)-N-(2-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 3-(4-butyltriazol-1-yl)-N-(2-fluorophenyl)benzenesulfonamide is CCCCc1cn(-c2cccc(S(=O)(=O)Nc3ccccc3F)c2)nn1.
What is the InChIKey of 3-(4-butyltriazol-1-yl)-N-(2-fluorophenyl)benzenesulfonamide?
The InChIKey is QAYVSYXWOGJPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2S/c1-2-3-7-14-13-23(22-20-14)15-8-6-9-16(12-15)26(24,25)21-18-11-5-4-10-17(18)19/h4-6,8-13,21H,2-3,7H2,1H3.
What are the key properties of 3-(4-butyltriazol-1-yl)-N-(2-fluorophenyl)benzenesulfonamide?
3-(4-butyltriazol-1-yl)-N-(2-fluorophenyl)benzenesulfonamide has a molecular weight of 374.44 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butyltriazol-1-yl)-N-(2-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 155563669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).