4-[(2-cyano-3-fluorophenyl)sulfamoyl]butanoic acid

C11H11FN2O4S — CID 43580600

IUPAC4-[(2-cyano-3-fluorophenyl)sulfamoyl]butanoic acid
SMILESN#Cc1c(F)cccc1NS(=O)(=O)CCCC(=O)O
InChIInChI=1S/C11H11FN2O4S/c12-9-3-1-4-10(8(9)7-13)14-19(17,18)6-2-5-11(15)16/h1,3-4,14H,2,5-6H2,(H,15,16)
InChIKeyZMAASGCCUJPIHR-UHFFFAOYSA-N
MW286.28 g/mol
LogP1.30
Rot. Bonds6

About 4-[(2-cyano-3-fluorophenyl)sulfamoyl]butanoic acid

4-[(2-cyano-3-fluorophenyl)sulfamoyl]butanoic acid (PubChem CID 43580600) has the molecular formula C11H11FN2O4S and a molecular weight of 286.28 g/mol. Its IUPAC name is 4-[(2-cyano-3-fluorophenyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[(2-cyano-3-fluorophenyl)sulfamoyl]butanoic acid
PubChem CID43580600
Molecular FormulaC11H11FN2O4S
Molecular Weight286.28 g/mol
Exact Mass286.04
IUPAC Name4-[(2-cyano-3-fluorophenyl)sulfamoyl]butanoic acid
SMILESN#Cc1c(F)cccc1NS(=O)(=O)CCCC(=O)O
InChIInChI=1S/C11H11FN2O4S/c12-9-3-1-4-10(8(9)7-13)14-19(17,18)6-2-5-11(15)16/h1,3-4,14H,2,5-6H2,(H,15,16)
InChIKeyZMAASGCCUJPIHR-UHFFFAOYSA-N
XLogP1.30
TPSA107.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyano-3-fluorophenyl)-2-hydroxyethanesulfonamide
CID 79588959
4-[(2-methylphenyl)sulfamoyl]butanoic acid
CID 28513713
4-[(5-bromo-2-fluorophenyl)sulfamoyl]butanoic acid
CID 43555610
3-[(2-cyano-3-fluorophenyl)carbamoyl-propan-2-ylamino]propanoic acid
CID 61201782
3-amino-N-(2-cyano-3-fluorophenyl)propanamide
CID 43580751
2-fluoro-6-[(4-methoxy-4-oxobutyl)sulfonylamino]benzoic acid
CID 61457587
4-[(4-fluoro-2-methylphenyl)sulfamoyl]butanoic acid
CID 28773802
3-chloro-N-(2-cyano-3-fluorophenyl)propanamide
CID 43580715
4-[(2-cyano-3-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43580595
3-[(3-chloro-2-fluorophenyl)sulfamoyl]propanoic acid
CID 28969153
2-amino-N-(2-cyano-3-methylphenyl)ethanesulfonamide
CID 107804201
2-[2-(2-cyano-3-fluoroanilino)-2-oxoethyl]sulfanylacetic acid
CID 2814775

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyano-3-fluorophenyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[(2-cyano-3-fluorophenyl)sulfamoyl]butanoic acid (CID 43580600) is 4-[(2-cyano-3-fluorophenyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[(2-cyano-3-fluorophenyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[(2-cyano-3-fluorophenyl)sulfamoyl]butanoic acid is N#Cc1c(F)cccc1NS(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[(2-cyano-3-fluorophenyl)sulfamoyl]butanoic acid?
The InChIKey is ZMAASGCCUJPIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O4S/c12-9-3-1-4-10(8(9)7-13)14-19(17,18)6-2-5-11(15)16/h1,3-4,14H,2,5-6H2,(H,15,16).
What are the key properties of 4-[(2-cyano-3-fluorophenyl)sulfamoyl]butanoic acid?
4-[(2-cyano-3-fluorophenyl)sulfamoyl]butanoic acid has a molecular weight of 286.28 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyano-3-fluorophenyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 43580600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).