2-(furan-2-yl)-N-[4-(trifluoromethyl)phenyl]sulfonylcyclopropane-1-carboxamide

C15H12F3NO4S — CID 86856779

IUPAC2-(furan-2-yl)-N-[4-(trifluoromethyl)phenyl]sulfonylcyclopropane-1-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(C(F)(F)F)cc1)C1CC1c1ccco1
InChIInChI=1S/C15H12F3NO4S/c16-15(17,18)9-3-5-10(6-4-9)24(21,22)19-14(20)12-8-11(12)13-2-1-7-23-13/h1-7,11-12H,8H2,(H,19,20)
InChIKeyNEPWJFAGWCRITP-UHFFFAOYSA-N
MW359.33 g/mol
LogP2.91
Rot. Bonds4

About 2-(furan-2-yl)-N-[4-(trifluoromethyl)phenyl]sulfonylcyclopropane-1-carboxamide

2-(furan-2-yl)-N-[4-(trifluoromethyl)phenyl]sulfonylcyclopropane-1-carboxamide (PubChem CID 86856779) has the molecular formula C15H12F3NO4S and a molecular weight of 359.33 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[4-(trifluoromethyl)phenyl]sulfonylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-[4-(trifluoromethyl)phenyl]sulfonylcyclopropane-1-carboxamide
PubChem CID86856779
Molecular FormulaC15H12F3NO4S
Molecular Weight359.33 g/mol
Exact Mass359.04
IUPAC Name2-(furan-2-yl)-N-[4-(trifluoromethyl)phenyl]sulfonylcyclopropane-1-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(C(F)(F)F)cc1)C1CC1c1ccco1
InChIInChI=1S/C15H12F3NO4S/c16-15(17,18)9-3-5-10(6-4-9)24(21,22)19-14(20)12-8-11(12)13-2-1-7-23-13/h1-7,11-12H,8H2,(H,19,20)
InChIKeyNEPWJFAGWCRITP-UHFFFAOYSA-N
XLogP2.91
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-[4-(trifluoromethyl)phenyl]sulfonylcyclopropane-1-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-[4-(trifluoromethyl)phenyl]sulfonylcyclopropane-1-carboxamide (CID 86856779) is 2-(furan-2-yl)-N-[4-(trifluoromethyl)phenyl]sulfonylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-[4-(trifluoromethyl)phenyl]sulfonylcyclopropane-1-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-[4-(trifluoromethyl)phenyl]sulfonylcyclopropane-1-carboxamide is O=C(NS(=O)(=O)c1ccc(C(F)(F)F)cc1)C1CC1c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-N-[4-(trifluoromethyl)phenyl]sulfonylcyclopropane-1-carboxamide?
The InChIKey is NEPWJFAGWCRITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO4S/c16-15(17,18)9-3-5-10(6-4-9)24(21,22)19-14(20)12-8-11(12)13-2-1-7-23-13/h1-7,11-12H,8H2,(H,19,20).
What are the key properties of 2-(furan-2-yl)-N-[4-(trifluoromethyl)phenyl]sulfonylcyclopropane-1-carboxamide?
2-(furan-2-yl)-N-[4-(trifluoromethyl)phenyl]sulfonylcyclopropane-1-carboxamide has a molecular weight of 359.33 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-[4-(trifluoromethyl)phenyl]sulfonylcyclopropane-1-carboxamide is sourced from PubChem (CID 86856779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).