N-(4-cyano-2-fluorophenyl)-2-oxo-1,3-oxazolidine-3-sulfonamide

C10H8FN3O4S — CID 168962959

IUPACN-(4-cyano-2-fluorophenyl)-2-oxo-1,3-oxazolidine-3-sulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)N2CCOC2=O)c(F)c1
InChIInChI=1S/C10H8FN3O4S/c11-8-5-7(6-12)1-2-9(8)13-19(16,17)14-3-4-18-10(14)15/h1-2,5,13H,3-4H2
InChIKeyZSJWNHBGYCKUOP-UHFFFAOYSA-N
MW285.26 g/mol
LogP0.81
Rot. Bonds3

About N-(4-cyano-2-fluorophenyl)-2-oxo-1,3-oxazolidine-3-sulfonamide

N-(4-cyano-2-fluorophenyl)-2-oxo-1,3-oxazolidine-3-sulfonamide (PubChem CID 168962959) has the molecular formula C10H8FN3O4S and a molecular weight of 285.26 g/mol. Its IUPAC name is N-(4-cyano-2-fluorophenyl)-2-oxo-1,3-oxazolidine-3-sulfonamide.

Molecular Properties

Compound NameN-(4-cyano-2-fluorophenyl)-2-oxo-1,3-oxazolidine-3-sulfonamide
PubChem CID168962959
Molecular FormulaC10H8FN3O4S
Molecular Weight285.26 g/mol
Exact Mass285.02
IUPAC NameN-(4-cyano-2-fluorophenyl)-2-oxo-1,3-oxazolidine-3-sulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)N2CCOC2=O)c(F)c1
InChIInChI=1S/C10H8FN3O4S/c11-8-5-7(6-12)1-2-9(8)13-19(16,17)14-3-4-18-10(14)15/h1-2,5,13H,3-4H2
InChIKeyZSJWNHBGYCKUOP-UHFFFAOYSA-N
XLogP0.81
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 83016859
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N-(4-methylsulfonylphenyl)-2-oxo-1,3-oxazolidine-3-sulfonamide
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3-fluoro-4-(4-oxopiperidin-1-yl)benzonitrile
CID 43656981
3-fluoro-4-[(4-methylpiperazin-1-yl)amino]benzonitrile
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3-fluoro-4-(methylamino)benzonitrile
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3-bromo-4-chloro-N-(4-cyano-2-fluorophenyl)benzenesulfonamide
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N-(4-cyano-2-fluorophenyl)acetamide
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N-(4-cyano-2-fluorophenyl)-5-thiophen-3-yl-1H-pyrrole-3-sulfonamide
CID 167206651
3-fluoro-4-[4-(2-oxooxolan-3-yl)piperazin-1-yl]benzonitrile
CID 56800741
N-[2-(4-cyano-2-fluoroanilino)-3,4-difluorophenyl]cyclopropanesulfonamide
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5-chloro-N-(4-cyano-2-fluorophenyl)-4-methylthiophene-2-sulfonamide
CID 103099977

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-2-fluorophenyl)-2-oxo-1,3-oxazolidine-3-sulfonamide?
The IUPAC name of N-(4-cyano-2-fluorophenyl)-2-oxo-1,3-oxazolidine-3-sulfonamide (CID 168962959) is N-(4-cyano-2-fluorophenyl)-2-oxo-1,3-oxazolidine-3-sulfonamide.
What is the SMILES notation for N-(4-cyano-2-fluorophenyl)-2-oxo-1,3-oxazolidine-3-sulfonamide?
The canonical SMILES for N-(4-cyano-2-fluorophenyl)-2-oxo-1,3-oxazolidine-3-sulfonamide is N#Cc1ccc(NS(=O)(=O)N2CCOC2=O)c(F)c1.
What is the InChIKey of N-(4-cyano-2-fluorophenyl)-2-oxo-1,3-oxazolidine-3-sulfonamide?
The InChIKey is ZSJWNHBGYCKUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O4S/c11-8-5-7(6-12)1-2-9(8)13-19(16,17)14-3-4-18-10(14)15/h1-2,5,13H,3-4H2.
What are the key properties of N-(4-cyano-2-fluorophenyl)-2-oxo-1,3-oxazolidine-3-sulfonamide?
N-(4-cyano-2-fluorophenyl)-2-oxo-1,3-oxazolidine-3-sulfonamide has a molecular weight of 285.26 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-2-fluorophenyl)-2-oxo-1,3-oxazolidine-3-sulfonamide is sourced from PubChem (CID 168962959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).