N-[5-(2-chloro-4-fluorophenyl)-3,4-dihydroxyfuran-2-yl]methanesulfonamide

C11H9ClFNO5S — CID 90082030

IUPACN-[5-(2-chloro-4-fluorophenyl)-3,4-dihydroxyfuran-2-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1oc(-c2ccc(F)cc2Cl)c(O)c1O
InChIInChI=1S/C11H9ClFNO5S/c1-20(17,18)14-11-9(16)8(15)10(19-11)6-3-2-5(13)4-7(6)12/h2-4,14-16H,1H3
InChIKeyVORBIJPGSLLERW-UHFFFAOYSA-N
MW321.71 g/mol
LogP2.52
Rot. Bonds3

About N-[5-(2-chloro-4-fluorophenyl)-3,4-dihydroxyfuran-2-yl]methanesulfonamide

N-[5-(2-chloro-4-fluorophenyl)-3,4-dihydroxyfuran-2-yl]methanesulfonamide (PubChem CID 90082030) has the molecular formula C11H9ClFNO5S and a molecular weight of 321.71 g/mol. Its IUPAC name is N-[5-(2-chloro-4-fluorophenyl)-3,4-dihydroxyfuran-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-(2-chloro-4-fluorophenyl)-3,4-dihydroxyfuran-2-yl]methanesulfonamide
PubChem CID90082030
Molecular FormulaC11H9ClFNO5S
Molecular Weight321.71 g/mol
Exact Mass320.99
IUPAC NameN-[5-(2-chloro-4-fluorophenyl)-3,4-dihydroxyfuran-2-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1oc(-c2ccc(F)cc2Cl)c(O)c1O
InChIInChI=1S/C11H9ClFNO5S/c1-20(17,18)14-11-9(16)8(15)10(19-11)6-3-2-5(13)4-7(6)12/h2-4,14-16H,1H3
InChIKeyVORBIJPGSLLERW-UHFFFAOYSA-N
XLogP2.52
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.71
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chloro-4-fluorophenyl)-3,4-dihydroxyfuran-2-yl]methanesulfonamide?
The IUPAC name of N-[5-(2-chloro-4-fluorophenyl)-3,4-dihydroxyfuran-2-yl]methanesulfonamide (CID 90082030) is N-[5-(2-chloro-4-fluorophenyl)-3,4-dihydroxyfuran-2-yl]methanesulfonamide.
What is the SMILES notation for N-[5-(2-chloro-4-fluorophenyl)-3,4-dihydroxyfuran-2-yl]methanesulfonamide?
The canonical SMILES for N-[5-(2-chloro-4-fluorophenyl)-3,4-dihydroxyfuran-2-yl]methanesulfonamide is CS(=O)(=O)Nc1oc(-c2ccc(F)cc2Cl)c(O)c1O.
What is the InChIKey of N-[5-(2-chloro-4-fluorophenyl)-3,4-dihydroxyfuran-2-yl]methanesulfonamide?
The InChIKey is VORBIJPGSLLERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNO5S/c1-20(17,18)14-11-9(16)8(15)10(19-11)6-3-2-5(13)4-7(6)12/h2-4,14-16H,1H3.
What are the key properties of N-[5-(2-chloro-4-fluorophenyl)-3,4-dihydroxyfuran-2-yl]methanesulfonamide?
N-[5-(2-chloro-4-fluorophenyl)-3,4-dihydroxyfuran-2-yl]methanesulfonamide has a molecular weight of 321.71 g/mol, XLogP of 2.52, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chloro-4-fluorophenyl)-3,4-dihydroxyfuran-2-yl]methanesulfonamide is sourced from PubChem (CID 90082030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).