2-[(4-cyanophenyl)sulfonylamino]-3-(2-fluorophenyl)propanoic acid

C16H13FN2O4S — CID 151395385

IUPAC2-[(4-cyanophenyl)sulfonylamino]-3-(2-fluorophenyl)propanoic acid
SMILESN#Cc1ccc(S(=O)(=O)NC(Cc2ccccc2F)C(=O)O)cc1
InChIInChI=1S/C16H13FN2O4S/c17-14-4-2-1-3-12(14)9-15(16(20)21)19-24(22,23)13-7-5-11(10-18)6-8-13/h1-8,15,19H,9H2,(H,20,21)
InChIKeyOVIJOGOZRHRGJA-UHFFFAOYSA-N
MW348.36 g/mol
LogP1.67
Rot. Bonds6

About 2-[(4-cyanophenyl)sulfonylamino]-3-(2-fluorophenyl)propanoic acid

2-[(4-cyanophenyl)sulfonylamino]-3-(2-fluorophenyl)propanoic acid (PubChem CID 151395385) has the molecular formula C16H13FN2O4S and a molecular weight of 348.36 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)sulfonylamino]-3-(2-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name2-[(4-cyanophenyl)sulfonylamino]-3-(2-fluorophenyl)propanoic acid
PubChem CID151395385
Molecular FormulaC16H13FN2O4S
Molecular Weight348.36 g/mol
Exact Mass348.06
IUPAC Name2-[(4-cyanophenyl)sulfonylamino]-3-(2-fluorophenyl)propanoic acid
SMILESN#Cc1ccc(S(=O)(=O)NC(Cc2ccccc2F)C(=O)O)cc1
InChIInChI=1S/C16H13FN2O4S/c17-14-4-2-1-3-12(14)9-15(16(20)21)19-24(22,23)13-7-5-11(10-18)6-8-13/h1-8,15,19H,9H2,(H,20,21)
InChIKeyOVIJOGOZRHRGJA-UHFFFAOYSA-N
XLogP1.67
TPSA107.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(4-cyanophenyl)sulfonylamino]-3-(2-fluorophenyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(benzenesulfonamido)-3-(4-cyanophenyl)propanoic acid
CID 1491108
(2R)-3-(4-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoic acid
CID 54073929
(2R)-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonylamino]-3-phenylpropanoic acid
CID 67588376
3-(2-fluorophenyl)-2-(hydroxymethylamino)propanoic acid
CID 134271011
(5-cyano-2-fluorophenyl)methyl (2S)-2-(benzenesulfonamido)propanoate
CID 55936418
4-[2-(2-fluorophenyl)-1-hydroxyethyl]benzonitrile
CID 115480843
(2S)-3-(4-cyanophenyl)-2-[[(2S)-4-methyl-2-(naphthalen-2-ylsulfonylamino)pentanoyl]amino]propanoic acid
CID 67912476
2-[(4-cyanophenyl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 43468041
(2R)-2-cyano-3-(2-fluorophenyl)propanoic acid
CID 27282051
methyl 2-[(4-cyanophenyl)sulfonylamino]-2-phenylacetate
CID 3861560
2-[[(2S)-3-(4-cyanophenyl)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]acetic acid
CID 71429394
(2S)-3-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanoic acid
CID 1112091

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)sulfonylamino]-3-(2-fluorophenyl)propanoic acid?
The IUPAC name of 2-[(4-cyanophenyl)sulfonylamino]-3-(2-fluorophenyl)propanoic acid (CID 151395385) is 2-[(4-cyanophenyl)sulfonylamino]-3-(2-fluorophenyl)propanoic acid.
What is the SMILES notation for 2-[(4-cyanophenyl)sulfonylamino]-3-(2-fluorophenyl)propanoic acid?
The canonical SMILES for 2-[(4-cyanophenyl)sulfonylamino]-3-(2-fluorophenyl)propanoic acid is N#Cc1ccc(S(=O)(=O)NC(Cc2ccccc2F)C(=O)O)cc1.
What is the InChIKey of 2-[(4-cyanophenyl)sulfonylamino]-3-(2-fluorophenyl)propanoic acid?
The InChIKey is OVIJOGOZRHRGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O4S/c17-14-4-2-1-3-12(14)9-15(16(20)21)19-24(22,23)13-7-5-11(10-18)6-8-13/h1-8,15,19H,9H2,(H,20,21).
What are the key properties of 2-[(4-cyanophenyl)sulfonylamino]-3-(2-fluorophenyl)propanoic acid?
2-[(4-cyanophenyl)sulfonylamino]-3-(2-fluorophenyl)propanoic acid has a molecular weight of 348.36 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)sulfonylamino]-3-(2-fluorophenyl)propanoic acid is sourced from PubChem (CID 151395385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).