(2R)-2-[(4-chlorophenyl)sulfonylamino]-4-fluorobutanoic acid

C10H11ClFNO4S — CID 59001025

IUPAC(2R)-2-[(4-chlorophenyl)sulfonylamino]-4-fluorobutanoic acid
SMILESO=C(O)[C@@H](CCF)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClFNO4S/c11-7-1-3-8(4-2-7)18(16,17)13-9(5-6-12)10(14)15/h1-4,9,13H,5-6H2,(H,14,15)/t9-/m1/s1
InChIKeyCUUQFKYVYOSLFC-SECBINFHSA-N
MW295.72 g/mol
LogP1.43
Rot. Bonds6

About (2R)-2-[(4-chlorophenyl)sulfonylamino]-4-fluorobutanoic acid

(2R)-2-[(4-chlorophenyl)sulfonylamino]-4-fluorobutanoic acid (PubChem CID 59001025) has the molecular formula C10H11ClFNO4S and a molecular weight of 295.72 g/mol. Its IUPAC name is (2R)-2-[(4-chlorophenyl)sulfonylamino]-4-fluorobutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-chlorophenyl)sulfonylamino]-4-fluorobutanoic acid
PubChem CID59001025
Molecular FormulaC10H11ClFNO4S
Molecular Weight295.72 g/mol
Exact Mass295.01
IUPAC Name(2R)-2-[(4-chlorophenyl)sulfonylamino]-4-fluorobutanoic acid
SMILESO=C(O)[C@@H](CCF)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClFNO4S/c11-7-1-3-8(4-2-7)18(16,17)13-9(5-6-12)10(14)15/h1-4,9,13H,5-6H2,(H,14,15)/t9-/m1/s1
InChIKeyCUUQFKYVYOSLFC-SECBINFHSA-N
XLogP1.43
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.72
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(4-chlorophenyl)sulfonylamino]pentanoic acid
CID 788533
3-amino-2-[(4-chlorophenyl)sulfonylamino]propanoic acid
CID 18328781
3-chloro-2-[(4-chlorophenyl)sulfonylamino]propanoic acid
CID 21236350
(2S)-3-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanoic acid
CID 1112091
(2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 7061989
(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methylsulfanylpropanoic acid
CID 7319023
4-amino-2-[(4-phenylphenyl)sulfonylamino]butanoic acid
CID 58279902
(2R)-3-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 7082008
(2S,3R)-2-[(4-chlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 6541721
2-[(4-fluorophenyl)sulfonylamino]pentanoic acid
CID 3745894
4-chloro-2-[(4-methylphenyl)sulfonylamino]butanoic acid
CID 19391793
2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-5-[(2,3-difluorobenzoyl)amino]pentanoic acid
CID 18682745

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonylamino]-4-fluorobutanoic acid?
The IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonylamino]-4-fluorobutanoic acid (CID 59001025) is (2R)-2-[(4-chlorophenyl)sulfonylamino]-4-fluorobutanoic acid.
What is the SMILES notation for (2R)-2-[(4-chlorophenyl)sulfonylamino]-4-fluorobutanoic acid?
The canonical SMILES for (2R)-2-[(4-chlorophenyl)sulfonylamino]-4-fluorobutanoic acid is O=C(O)[C@@H](CCF)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-[(4-chlorophenyl)sulfonylamino]-4-fluorobutanoic acid?
The InChIKey is CUUQFKYVYOSLFC-SECBINFHSA-N. The full InChI is InChI=1S/C10H11ClFNO4S/c11-7-1-3-8(4-2-7)18(16,17)13-9(5-6-12)10(14)15/h1-4,9,13H,5-6H2,(H,14,15)/t9-/m1/s1.
What are the key properties of (2R)-2-[(4-chlorophenyl)sulfonylamino]-4-fluorobutanoic acid?
(2R)-2-[(4-chlorophenyl)sulfonylamino]-4-fluorobutanoic acid has a molecular weight of 295.72 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-chlorophenyl)sulfonylamino]-4-fluorobutanoic acid is sourced from PubChem (CID 59001025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).