5-[2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-sulfonamide

C17H15F3N2O2S — CID 22917257

IUPAC5-[2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(C2=C(c3ccc(C(F)(F)F)cc3)CCC2)cn1
InChIInChI=1S/C17H15F3N2O2S/c18-17(19,20)13-7-4-11(5-8-13)14-2-1-3-15(14)12-6-9-16(22-10-12)25(21,23)24/h4-10H,1-3H2,(H2,21,23,24)
InChIKeyCTMNABVJBVBIPH-UHFFFAOYSA-N
MW368.38 g/mol
LogP3.84
Rot. Bonds3

About 5-[2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-sulfonamide

5-[2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-sulfonamide (PubChem CID 22917257) has the molecular formula C17H15F3N2O2S and a molecular weight of 368.38 g/mol. Its IUPAC name is 5-[2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-[2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-sulfonamide
PubChem CID22917257
Molecular FormulaC17H15F3N2O2S
Molecular Weight368.38 g/mol
Exact Mass368.08
IUPAC Name5-[2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(C2=C(c3ccc(C(F)(F)F)cc3)CCC2)cn1
InChIInChI=1S/C17H15F3N2O2S/c18-17(19,20)13-7-4-11(5-8-13)14-2-1-3-15(14)12-6-9-16(22-10-12)25(21,23)24/h4-10H,1-3H2,(H2,21,23,24)
InChIKeyCTMNABVJBVBIPH-UHFFFAOYSA-N
XLogP3.84
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-sulfonamide?
The IUPAC name of 5-[2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-sulfonamide (CID 22917257) is 5-[2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-sulfonamide.
What is the SMILES notation for 5-[2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-sulfonamide?
The canonical SMILES for 5-[2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-sulfonamide is NS(=O)(=O)c1ccc(C2=C(c3ccc(C(F)(F)F)cc3)CCC2)cn1.
What is the InChIKey of 5-[2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-sulfonamide?
The InChIKey is CTMNABVJBVBIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2S/c18-17(19,20)13-7-4-11(5-8-13)14-2-1-3-15(14)12-6-9-16(22-10-12)25(21,23)24/h4-10H,1-3H2,(H2,21,23,24).
What are the key properties of 5-[2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-sulfonamide?
5-[2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-sulfonamide has a molecular weight of 368.38 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-sulfonamide is sourced from PubChem (CID 22917257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).