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

C12H15ClN2O5S — CID 43172869

IUPAC5-amino-2-[(4-chloro-2-methylphenyl)sulfonylamino]-5-oxopentanoic acid
SMILESCc1cc(Cl)ccc1S(=O)(=O)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C12H15ClN2O5S/c1-7-6-8(13)2-4-10(7)21(19,20)15-9(12(17)18)3-5-11(14)16/h2,4,6,9,15H,3,5H2,1H3,(H2,14,16)(H,17,18)
InChIKeyXWHWQWARZUTYIP-UHFFFAOYSA-N
MW334.78 g/mol
LogP0.65
Rot. Bonds7

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

5-amino-2-[(4-chloro-2-methylphenyl)sulfonylamino]-5-oxopentanoic acid (PubChem CID 43172869) has the molecular formula C12H15ClN2O5S and a molecular weight of 334.78 g/mol. Its IUPAC name is 5-amino-2-[(4-chloro-2-methylphenyl)sulfonylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[(4-chloro-2-methylphenyl)sulfonylamino]-5-oxopentanoic acid
PubChem CID43172869
Molecular FormulaC12H15ClN2O5S
Molecular Weight334.78 g/mol
Exact Mass334.04
IUPAC Name5-amino-2-[(4-chloro-2-methylphenyl)sulfonylamino]-5-oxopentanoic acid
SMILESCc1cc(Cl)ccc1S(=O)(=O)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C12H15ClN2O5S/c1-7-6-8(13)2-4-10(7)21(19,20)15-9(12(17)18)3-5-11(14)16/h2,4,6,9,15H,3,5H2,1H3,(H2,14,16)(H,17,18)
InChIKeyXWHWQWARZUTYIP-UHFFFAOYSA-N
XLogP0.65
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chloro-2-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244229
2-[(4-chloro-2-methylphenyl)sulfonylamino]butanoic acid
CID 43470023
(2S)-5-amino-2-[(2-chloro-4-methylphenyl)sulfonylamino]-5-oxopentanoic acid
CID 61141634
(2R)-5-amino-2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-oxopentanoic acid
CID 104935522
(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
5-amino-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 43245034
(2S)-5-amino-2-[(4-bromo-3-methylphenyl)sulfonylamino]-5-oxopentanoic acid
CID 61141460
(2R)-5-amino-2-[(2,4-dimethylphenyl)sulfonylamino]-5-oxopentanoate
CID 2101775
(2S)-5-amino-2-[(2,3-dichlorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 61141276
(2R)-5-amino-2-[(3,4-dichlorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 104935542
5-amino-2-[(2,5-dibromophenyl)sulfonylamino]-5-oxopentanoic acid
CID 43084254

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(4-chloro-2-methylphenyl)sulfonylamino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[(4-chloro-2-methylphenyl)sulfonylamino]-5-oxopentanoic acid (CID 43172869) is 5-amino-2-[(4-chloro-2-methylphenyl)sulfonylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[(4-chloro-2-methylphenyl)sulfonylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[(4-chloro-2-methylphenyl)sulfonylamino]-5-oxopentanoic acid is Cc1cc(Cl)ccc1S(=O)(=O)NC(CCC(N)=O)C(=O)O.
What is the InChIKey of 5-amino-2-[(4-chloro-2-methylphenyl)sulfonylamino]-5-oxopentanoic acid?
The InChIKey is XWHWQWARZUTYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O5S/c1-7-6-8(13)2-4-10(7)21(19,20)15-9(12(17)18)3-5-11(14)16/h2,4,6,9,15H,3,5H2,1H3,(H2,14,16)(H,17,18).
What are the key properties of 5-amino-2-[(4-chloro-2-methylphenyl)sulfonylamino]-5-oxopentanoic acid?
5-amino-2-[(4-chloro-2-methylphenyl)sulfonylamino]-5-oxopentanoic acid has a molecular weight of 334.78 g/mol, XLogP of 0.65, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(4-chloro-2-methylphenyl)sulfonylamino]-5-oxopentanoic acid is sourced from PubChem (CID 43172869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).