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

C14H11ClFNO4S — CID 86856808

IUPACN-(4-chloro-2-fluorophenyl)sulfonyl-2-(furan-2-yl)cyclopropane-1-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(Cl)cc1F)C1CC1c1ccco1
InChIInChI=1S/C14H11ClFNO4S/c15-8-3-4-13(11(16)6-8)22(19,20)17-14(18)10-7-9(10)12-2-1-5-21-12/h1-6,9-10H,7H2,(H,17,18)
InChIKeyQPLHDODPCRBHPG-UHFFFAOYSA-N
MW343.76 g/mol
LogP2.68
Rot. Bonds4

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

N-(4-chloro-2-fluorophenyl)sulfonyl-2-(furan-2-yl)cyclopropane-1-carboxamide (PubChem CID 86856808) has the molecular formula C14H11ClFNO4S and a molecular weight of 343.76 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)sulfonyl-2-(furan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)sulfonyl-2-(furan-2-yl)cyclopropane-1-carboxamide
PubChem CID86856808
Molecular FormulaC14H11ClFNO4S
Molecular Weight343.76 g/mol
Exact Mass343.01
IUPAC NameN-(4-chloro-2-fluorophenyl)sulfonyl-2-(furan-2-yl)cyclopropane-1-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(Cl)cc1F)C1CC1c1ccco1
InChIInChI=1S/C14H11ClFNO4S/c15-8-3-4-13(11(16)6-8)22(19,20)17-14(18)10-7-9(10)12-2-1-5-21-12/h1-6,9-10H,7H2,(H,17,18)
InChIKeyQPLHDODPCRBHPG-UHFFFAOYSA-N
XLogP2.68
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.76
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)sulfonyl-2-(furan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)sulfonyl-2-(furan-2-yl)cyclopropane-1-carboxamide (CID 86856808) is N-(4-chloro-2-fluorophenyl)sulfonyl-2-(furan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)sulfonyl-2-(furan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)sulfonyl-2-(furan-2-yl)cyclopropane-1-carboxamide is O=C(NS(=O)(=O)c1ccc(Cl)cc1F)C1CC1c1ccco1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)sulfonyl-2-(furan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is QPLHDODPCRBHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO4S/c15-8-3-4-13(11(16)6-8)22(19,20)17-14(18)10-7-9(10)12-2-1-5-21-12/h1-6,9-10H,7H2,(H,17,18).
What are the key properties of N-(4-chloro-2-fluorophenyl)sulfonyl-2-(furan-2-yl)cyclopropane-1-carboxamide?
N-(4-chloro-2-fluorophenyl)sulfonyl-2-(furan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 343.76 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)sulfonyl-2-(furan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 86856808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).