(2R)-5-amino-2-[(3,4-dichlorophenyl)sulfonylamino]-5-oxopentanoic acid

C11H12Cl2N2O5S — CID 104935542

IUPAC(2R)-5-amino-2-[(3,4-dichlorophenyl)sulfonylamino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)O
InChIInChI=1S/C11H12Cl2N2O5S/c12-7-2-1-6(5-8(7)13)21(19,20)15-9(11(17)18)3-4-10(14)16/h1-2,5,9,15H,3-4H2,(H2,14,16)(H,17,18)/t9-/m1/s1
InChIKeyGDPJEWWJTVCCKI-SECBINFHSA-N
MW355.20 g/mol
LogP0.99
Rot. Bonds7

About (2R)-5-amino-2-[(3,4-dichlorophenyl)sulfonylamino]-5-oxopentanoic acid

(2R)-5-amino-2-[(3,4-dichlorophenyl)sulfonylamino]-5-oxopentanoic acid (PubChem CID 104935542) has the molecular formula C11H12Cl2N2O5S and a molecular weight of 355.20 g/mol. Its IUPAC name is (2R)-5-amino-2-[(3,4-dichlorophenyl)sulfonylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-[(3,4-dichlorophenyl)sulfonylamino]-5-oxopentanoic acid
PubChem CID104935542
Molecular FormulaC11H12Cl2N2O5S
Molecular Weight355.20 g/mol
Exact Mass353.98
IUPAC Name(2R)-5-amino-2-[(3,4-dichlorophenyl)sulfonylamino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)O
InChIInChI=1S/C11H12Cl2N2O5S/c12-7-2-1-6(5-8(7)13)21(19,20)15-9(11(17)18)3-4-10(14)16/h1-2,5,9,15H,3-4H2,(H2,14,16)(H,17,18)/t9-/m1/s1
InChIKeyGDPJEWWJTVCCKI-SECBINFHSA-N
XLogP0.99
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.20
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-5-amino-2-[(3,4-dichlorophenyl)sulfonylamino]-5-oxopentanoic 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

(2S)-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide
CID 131855550
2-[(3-bromo-4-chlorophenyl)sulfonylamino]pentanedioic acid
CID 106605240
(2S)-5-amino-2-[(4-bromo-3-methylphenyl)sulfonylamino]-5-oxopentanoic acid
CID 61141460
(2S)-5-amino-2-[(4-bromo-3-fluorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 104934647
(2R)-5-amino-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 28829198
(2S)-5-amino-2-[(2-chloro-4-methylphenyl)sulfonylamino]-5-oxopentanoic acid
CID 61141634
5-amino-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 43245034
2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoic acid
CID 43827519
(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)-5-amino-2-[(3-methoxyphenyl)sulfonylamino]-5-oxopentanoic acid
CID 81264713
(2S)-5-amino-2-[(3-cyanophenyl)sulfonylamino]-5-oxopentanoic acid
CID 28527492

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[(3,4-dichlorophenyl)sulfonylamino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-[(3,4-dichlorophenyl)sulfonylamino]-5-oxopentanoic acid (CID 104935542) is (2R)-5-amino-2-[(3,4-dichlorophenyl)sulfonylamino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-[(3,4-dichlorophenyl)sulfonylamino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-[(3,4-dichlorophenyl)sulfonylamino]-5-oxopentanoic acid is NC(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)O.
What is the InChIKey of (2R)-5-amino-2-[(3,4-dichlorophenyl)sulfonylamino]-5-oxopentanoic acid?
The InChIKey is GDPJEWWJTVCCKI-SECBINFHSA-N. The full InChI is InChI=1S/C11H12Cl2N2O5S/c12-7-2-1-6(5-8(7)13)21(19,20)15-9(11(17)18)3-4-10(14)16/h1-2,5,9,15H,3-4H2,(H2,14,16)(H,17,18)/t9-/m1/s1.
What are the key properties of (2R)-5-amino-2-[(3,4-dichlorophenyl)sulfonylamino]-5-oxopentanoic acid?
(2R)-5-amino-2-[(3,4-dichlorophenyl)sulfonylamino]-5-oxopentanoic acid has a molecular weight of 355.20 g/mol, XLogP of 0.99, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-[(3,4-dichlorophenyl)sulfonylamino]-5-oxopentanoic acid is sourced from PubChem (CID 104935542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).