3-(cyclopropylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide

C13H12F3N5O3S — CID 36579877

IUPAC3-(cyclopropylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
SMILESO=C(Nc1n[nH]c(C(F)(F)F)n1)c1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C13H12F3N5O3S/c14-13(15,16)11-18-12(20-19-11)17-10(22)7-2-1-3-9(6-7)25(23,24)21-8-4-5-8/h1-3,6,8,21H,4-5H2,(H2,17,18,19,20,22)
InChIKeyVQTLTHHKQOQNQY-UHFFFAOYSA-N
MW375.33 g/mol
LogP1.52
Rot. Bonds5

About 3-(cyclopropylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide

3-(cyclopropylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide (PubChem CID 36579877) has the molecular formula C13H12F3N5O3S and a molecular weight of 375.33 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide.

Molecular Properties

Compound Name3-(cyclopropylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
PubChem CID36579877
Molecular FormulaC13H12F3N5O3S
Molecular Weight375.33 g/mol
Exact Mass375.06
IUPAC Name3-(cyclopropylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
SMILESO=C(Nc1n[nH]c(C(F)(F)F)n1)c1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C13H12F3N5O3S/c14-13(15,16)11-18-12(20-19-11)17-10(22)7-2-1-3-9(6-7)25(23,24)21-8-4-5-8/h1-3,6,8,21H,4-5H2,(H2,17,18,19,20,22)
InChIKeyVQTLTHHKQOQNQY-UHFFFAOYSA-N
XLogP1.52
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-(cyclopropylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide 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-(cyclopropylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide?
The IUPAC name of 3-(cyclopropylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide (CID 36579877) is 3-(cyclopropylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide.
What is the SMILES notation for 3-(cyclopropylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide?
The canonical SMILES for 3-(cyclopropylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide is O=C(Nc1n[nH]c(C(F)(F)F)n1)c1cccc(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of 3-(cyclopropylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide?
The InChIKey is VQTLTHHKQOQNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N5O3S/c14-13(15,16)11-18-12(20-19-11)17-10(22)7-2-1-3-9(6-7)25(23,24)21-8-4-5-8/h1-3,6,8,21H,4-5H2,(H2,17,18,19,20,22).
What are the key properties of 3-(cyclopropylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide?
3-(cyclopropylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide has a molecular weight of 375.33 g/mol, XLogP of 1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide is sourced from PubChem (CID 36579877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).