5-cyclobutyl-N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-1H-pyrrole-3-sulfonamide

C15H13F5N2O2S — CID 166153951

IUPAC5-cyclobutyl-N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-1H-pyrrole-3-sulfonamide
SMILESO=S(=O)(Nc1cc(F)c(C(F)(F)F)cc1F)c1c[nH]c(C2CCC2)c1
InChIInChI=1S/C15H13F5N2O2S/c16-11-6-14(12(17)5-10(11)15(18,19)20)22-25(23,24)9-4-13(21-7-9)8-2-1-3-8/h4-8,21-22H,1-3H2
InChIKeyJSTYGTDEJCNQAI-UHFFFAOYSA-N
MW380.34 g/mol
LogP4.38
Rot. Bonds4

About 5-cyclobutyl-N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-1H-pyrrole-3-sulfonamide

5-cyclobutyl-N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-1H-pyrrole-3-sulfonamide (PubChem CID 166153951) has the molecular formula C15H13F5N2O2S and a molecular weight of 380.34 g/mol. Its IUPAC name is 5-cyclobutyl-N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-cyclobutyl-N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-1H-pyrrole-3-sulfonamide
PubChem CID166153951
Molecular FormulaC15H13F5N2O2S
Molecular Weight380.34 g/mol
Exact Mass380.06
IUPAC Name5-cyclobutyl-N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-1H-pyrrole-3-sulfonamide
SMILESO=S(=O)(Nc1cc(F)c(C(F)(F)F)cc1F)c1c[nH]c(C2CCC2)c1
InChIInChI=1S/C15H13F5N2O2S/c16-11-6-14(12(17)5-10(11)15(18,19)20)22-25(23,24)9-4-13(21-7-9)8-2-1-3-8/h4-8,21-22H,1-3H2
InChIKeyJSTYGTDEJCNQAI-UHFFFAOYSA-N
XLogP4.38
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.34
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-cyclobutyl-N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-1H-pyrrole-3-sulfonamide 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 5-cyclobutyl-N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-cyclobutyl-N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-1H-pyrrole-3-sulfonamide (CID 166153951) is 5-cyclobutyl-N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-cyclobutyl-N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-cyclobutyl-N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-1H-pyrrole-3-sulfonamide is O=S(=O)(Nc1cc(F)c(C(F)(F)F)cc1F)c1c[nH]c(C2CCC2)c1.
What is the InChIKey of 5-cyclobutyl-N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-1H-pyrrole-3-sulfonamide?
The InChIKey is JSTYGTDEJCNQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F5N2O2S/c16-11-6-14(12(17)5-10(11)15(18,19)20)22-25(23,24)9-4-13(21-7-9)8-2-1-3-8/h4-8,21-22H,1-3H2.
What are the key properties of 5-cyclobutyl-N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-1H-pyrrole-3-sulfonamide?
5-cyclobutyl-N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-1H-pyrrole-3-sulfonamide has a molecular weight of 380.34 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 166153951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).