(2S)-3-fluoro-2-[(4-propylphenyl)sulfonylamino]propanoic acid

C12H16FNO4S — CID 167947824

IUPAC(2S)-3-fluoro-2-[(4-propylphenyl)sulfonylamino]propanoic acid
SMILESCCCc1ccc(S(=O)(=O)N[C@H](CF)C(=O)O)cc1
InChIInChI=1S/C12H16FNO4S/c1-2-3-9-4-6-10(7-5-9)19(17,18)14-11(8-13)12(15)16/h4-7,11,14H,2-3,8H2,1H3,(H,15,16)/t11-/m1/s1
InChIKeyLFLHYNDRKYSBSI-LLVKDONJSA-N
MW289.33 g/mol
LogP1.34
Rot. Bonds7

About (2S)-3-fluoro-2-[(4-propylphenyl)sulfonylamino]propanoic acid

(2S)-3-fluoro-2-[(4-propylphenyl)sulfonylamino]propanoic acid (PubChem CID 167947824) has the molecular formula C12H16FNO4S and a molecular weight of 289.33 g/mol. Its IUPAC name is (2S)-3-fluoro-2-[(4-propylphenyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-fluoro-2-[(4-propylphenyl)sulfonylamino]propanoic acid
PubChem CID167947824
Molecular FormulaC12H16FNO4S
Molecular Weight289.33 g/mol
Exact Mass289.08
IUPAC Name(2S)-3-fluoro-2-[(4-propylphenyl)sulfonylamino]propanoic acid
SMILESCCCc1ccc(S(=O)(=O)N[C@H](CF)C(=O)O)cc1
InChIInChI=1S/C12H16FNO4S/c1-2-3-9-4-6-10(7-5-9)19(17,18)14-11(8-13)12(15)16/h4-7,11,14H,2-3,8H2,1H3,(H,15,16)/t11-/m1/s1
InChIKeyLFLHYNDRKYSBSI-LLVKDONJSA-N
XLogP1.34
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-3-fluoro-2-[(4-propylphenyl)sulfonylamino]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

2-[(4-fluorophenyl)sulfonylamino]pentanoic acid
CID 3745894
N-[(1S)-1-phenylethyl]-4-propylbenzenesulfonamide
CID 2559624
(2S)-2-[(4-chlorophenyl)sulfonylamino]pentanoic acid
CID 788533
2-[[4-(acetamidomethyl)phenyl]sulfonylamino]butanoic acid
CID 43386785
2-[(4-aminophenyl)sulfonylamino]butanoic acid
CID 71945727
(2S)-3-(ethylamino)-2-[(4-iodophenyl)sulfonylamino]propanoic acid;hydrochloride
CID 86754155
(2R)-2-[(4-tert-butylphenyl)sulfonylamino]pentanoic acid
CID 93252469
N-iodo-4-propylbenzenesulfonamide
CID 143564822
(2S)-2-[(4-tert-butylphenyl)sulfonylamino]butanoic acid
CID 42255460
(2S)-2,3-bis[(4-methylphenyl)sulfonylamino]propanoic acid
CID 44722108
(2S)-3-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanoic acid
CID 1112091
N-ethyl-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 5211556

Frequently Asked Questions

What is the IUPAC name of (2S)-3-fluoro-2-[(4-propylphenyl)sulfonylamino]propanoic acid?
The IUPAC name of (2S)-3-fluoro-2-[(4-propylphenyl)sulfonylamino]propanoic acid (CID 167947824) is (2S)-3-fluoro-2-[(4-propylphenyl)sulfonylamino]propanoic acid.
What is the SMILES notation for (2S)-3-fluoro-2-[(4-propylphenyl)sulfonylamino]propanoic acid?
The canonical SMILES for (2S)-3-fluoro-2-[(4-propylphenyl)sulfonylamino]propanoic acid is CCCc1ccc(S(=O)(=O)N[C@H](CF)C(=O)O)cc1.
What is the InChIKey of (2S)-3-fluoro-2-[(4-propylphenyl)sulfonylamino]propanoic acid?
The InChIKey is LFLHYNDRKYSBSI-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16FNO4S/c1-2-3-9-4-6-10(7-5-9)19(17,18)14-11(8-13)12(15)16/h4-7,11,14H,2-3,8H2,1H3,(H,15,16)/t11-/m1/s1.
What are the key properties of (2S)-3-fluoro-2-[(4-propylphenyl)sulfonylamino]propanoic acid?
(2S)-3-fluoro-2-[(4-propylphenyl)sulfonylamino]propanoic acid has a molecular weight of 289.33 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-fluoro-2-[(4-propylphenyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 167947824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).