5-amino-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-5-oxopentanoic acid

C11H12ClFN2O5S — CID 43245034

IUPAC5-amino-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-5-oxopentanoic acid
SMILESNC(=O)CCC(NS(=O)(=O)c1ccc(F)cc1Cl)C(=O)O
InChIInChI=1S/C11H12ClFN2O5S/c12-7-5-6(13)1-3-9(7)21(19,20)15-8(11(17)18)2-4-10(14)16/h1,3,5,8,15H,2,4H2,(H2,14,16)(H,17,18)
InChIKeyWWEVSKUVDLWYSV-UHFFFAOYSA-N
MW338.74 g/mol
LogP0.48
Rot. Bonds7

About 5-amino-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-5-oxopentanoic acid

5-amino-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-5-oxopentanoic acid (PubChem CID 43245034) has the molecular formula C11H12ClFN2O5S and a molecular weight of 338.74 g/mol. Its IUPAC name is 5-amino-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-5-oxopentanoic acid
PubChem CID43245034
Molecular FormulaC11H12ClFN2O5S
Molecular Weight338.74 g/mol
Exact Mass338.01
IUPAC Name5-amino-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-5-oxopentanoic acid
SMILESNC(=O)CCC(NS(=O)(=O)c1ccc(F)cc1Cl)C(=O)O
InChIInChI=1S/C11H12ClFN2O5S/c12-7-5-6(13)1-3-9(7)21(19,20)15-8(11(17)18)2-4-10(14)16/h1,3,5,8,15H,2,4H2,(H2,14,16)(H,17,18)
InChIKeyWWEVSKUVDLWYSV-UHFFFAOYSA-N
XLogP0.48
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.74
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-5-amino-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 28829198
(2S)-5-amino-2-[(2,5-difluorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 61141194
(2S)-5-amino-2-[(2-chloro-4-methylphenyl)sulfonylamino]-5-oxopentanoic acid
CID 61141634
(2S)-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 61154149
(2R)-5-amino-2-[(3,4-dichlorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 104935542
(2S)-5-amino-2-[(2,3-dichlorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 61141276
5-amino-2-[(4-chloro-2-methylphenyl)sulfonylamino]-5-oxopentanoic acid
CID 43172869
(2S)-2-[(2,4-difluorophenyl)sulfonylamino]pentanedioic acid
CID 61144131
(2R)-5-amino-2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-oxopentanoic acid
CID 104935522
2-[(2-chloro-5-fluorophenyl)sulfonylamino]pentanoic acid
CID 104739176
4-amino-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-4-oxobutanoic acid
CID 43084164
(2S)-5-amino-2-[(4-bromo-3-fluorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 104934647

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-5-oxopentanoic acid (CID 43245034) is 5-amino-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-5-oxopentanoic acid is NC(=O)CCC(NS(=O)(=O)c1ccc(F)cc1Cl)C(=O)O.
What is the InChIKey of 5-amino-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-5-oxopentanoic acid?
The InChIKey is WWEVSKUVDLWYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN2O5S/c12-7-5-6(13)1-3-9(7)21(19,20)15-8(11(17)18)2-4-10(14)16/h1,3,5,8,15H,2,4H2,(H2,14,16)(H,17,18).
What are the key properties of 5-amino-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-5-oxopentanoic acid?
5-amino-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-5-oxopentanoic acid has a molecular weight of 338.74 g/mol, XLogP of 0.48, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-5-oxopentanoic acid is sourced from PubChem (CID 43245034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).