3-(4-butyltriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide

C19H19F3N4O2S — CID 122455390

IUPAC3-(4-butyltriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCCCCc1cn(-c2cccc(S(=O)(=O)Nc3ccccc3C(F)(F)F)c2)nn1
InChIInChI=1S/C19H19F3N4O2S/c1-2-3-7-14-13-26(25-23-14)15-8-6-9-16(12-15)29(27,28)24-18-11-5-4-10-17(18)19(20,21)22/h4-6,8-13,24H,2-3,7H2,1H3
InChIKeyFNALABCQNYPDNM-UHFFFAOYSA-N
MW424.45 g/mol
LogP4.43
Rot. Bonds7

About 3-(4-butyltriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide

3-(4-butyltriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 122455390) has the molecular formula C19H19F3N4O2S and a molecular weight of 424.45 g/mol. Its IUPAC name is 3-(4-butyltriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(4-butyltriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID122455390
Molecular FormulaC19H19F3N4O2S
Molecular Weight424.45 g/mol
Exact Mass424.12
IUPAC Name3-(4-butyltriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCCCCc1cn(-c2cccc(S(=O)(=O)Nc3ccccc3C(F)(F)F)c2)nn1
InChIInChI=1S/C19H19F3N4O2S/c1-2-3-7-14-13-26(25-23-14)15-8-6-9-16(12-15)29(27,28)24-18-11-5-4-10-17(18)19(20,21)22/h4-6,8-13,24H,2-3,7H2,1H3
InChIKeyFNALABCQNYPDNM-UHFFFAOYSA-N
XLogP4.43
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-butyltriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-butyltriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 3-(4-butyltriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide (CID 122455390) is 3-(4-butyltriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-(4-butyltriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-(4-butyltriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide is CCCCc1cn(-c2cccc(S(=O)(=O)Nc3ccccc3C(F)(F)F)c2)nn1.
What is the InChIKey of 3-(4-butyltriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is FNALABCQNYPDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2S/c1-2-3-7-14-13-26(25-23-14)15-8-6-9-16(12-15)29(27,28)24-18-11-5-4-10-17(18)19(20,21)22/h4-6,8-13,24H,2-3,7H2,1H3.
What are the key properties of 3-(4-butyltriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
3-(4-butyltriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 424.45 g/mol, XLogP of 4.43, 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-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 122455390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).