N-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)cyclopropane-1-carboxamide

C14H12FNO4S — CID 86856763

IUPACN-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)cyclopropane-1-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(F)cc1)C1CC1c1ccco1
InChIInChI=1S/C14H12FNO4S/c15-9-3-5-10(6-4-9)21(18,19)16-14(17)12-8-11(12)13-2-1-7-20-13/h1-7,11-12H,8H2,(H,16,17)
InChIKeyASAKILDLUWZECT-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.03
Rot. Bonds4

About N-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)cyclopropane-1-carboxamide

N-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)cyclopropane-1-carboxamide (PubChem CID 86856763) has the molecular formula C14H12FNO4S and a molecular weight of 309.32 g/mol. Its IUPAC name is N-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)cyclopropane-1-carboxamide
PubChem CID86856763
Molecular FormulaC14H12FNO4S
Molecular Weight309.32 g/mol
Exact Mass309.05
IUPAC NameN-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)cyclopropane-1-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(F)cc1)C1CC1c1ccco1
InChIInChI=1S/C14H12FNO4S/c15-9-3-5-10(6-4-9)21(18,19)16-14(17)12-8-11(12)13-2-1-7-20-13/h1-7,11-12H,8H2,(H,16,17)
InChIKeyASAKILDLUWZECT-UHFFFAOYSA-N
XLogP2.03
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)cyclopropane-1-carboxamide (CID 86856763) is N-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)cyclopropane-1-carboxamide is O=C(NS(=O)(=O)c1ccc(F)cc1)C1CC1c1ccco1.
What is the InChIKey of N-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is ASAKILDLUWZECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO4S/c15-9-3-5-10(6-4-9)21(18,19)16-14(17)12-8-11(12)13-2-1-7-20-13/h1-7,11-12H,8H2,(H,16,17).
What are the key properties of N-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)cyclopropane-1-carboxamide?
N-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 309.32 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 86856763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).