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

C11H12Cl2N2O5S — CID 61141276

IUPAC(2S)-5-amino-2-[(2,3-dichlorophenyl)sulfonylamino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@H](NS(=O)(=O)c1cccc(Cl)c1Cl)C(=O)O
InChIInChI=1S/C11H12Cl2N2O5S/c12-6-2-1-3-8(10(6)13)21(19,20)15-7(11(17)18)4-5-9(14)16/h1-3,7,15H,4-5H2,(H2,14,16)(H,17,18)/t7-/m0/s1
InChIKeyHKWMSQKKQNNKMU-ZETCQYMHSA-N
MW355.20 g/mol
LogP0.99
Rot. Bonds7

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

(2S)-5-amino-2-[(2,3-dichlorophenyl)sulfonylamino]-5-oxopentanoic acid (PubChem CID 61141276) has the molecular formula C11H12Cl2N2O5S and a molecular weight of 355.20 g/mol. Its IUPAC name is (2S)-5-amino-2-[(2,3-dichlorophenyl)sulfonylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-[(2,3-dichlorophenyl)sulfonylamino]-5-oxopentanoic acid
PubChem CID61141276
Molecular FormulaC11H12Cl2N2O5S
Molecular Weight355.20 g/mol
Exact Mass353.98
IUPAC Name(2S)-5-amino-2-[(2,3-dichlorophenyl)sulfonylamino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@H](NS(=O)(=O)c1cccc(Cl)c1Cl)C(=O)O
InChIInChI=1S/C11H12Cl2N2O5S/c12-6-2-1-3-8(10(6)13)21(19,20)15-7(11(17)18)4-5-9(14)16/h1-3,7,15H,4-5H2,(H2,14,16)(H,17,18)/t7-/m0/s1
InChIKeyHKWMSQKKQNNKMU-ZETCQYMHSA-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

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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-chloro-4-methylphenyl)sulfonylamino]-5-oxopentanoic acid
CID 61141634
5-amino-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 43245034
(2R)-4-amino-2-[(2-chlorophenyl)sulfonylamino]-4-oxobutanoic acid
CID 28828867
(2R)-5-amino-2-[(3,4-dichlorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 104935542
5-amino-2-[(4-chloro-2-methylphenyl)sulfonylamino]-5-oxopentanoic acid
CID 43172869
(2S)-5-amino-2-[(2,5-difluorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 61141194
5-amino-2-[(2,5-dibromophenyl)sulfonylamino]-5-oxopentanoic acid
CID 43084254
(2R)-5-amino-2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-oxopentanoic acid
CID 104935522
(2R)-2-[(2-chlorophenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 28831674
(2R)-2-[(3-chloro-2-methylphenyl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 104906681
2-[(2-chlorophenyl)sulfonylamino]butanedioic acid
CID 71628754

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-[(2,3-dichlorophenyl)sulfonylamino]-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-[(2,3-dichlorophenyl)sulfonylamino]-5-oxopentanoic acid (CID 61141276) is (2S)-5-amino-2-[(2,3-dichlorophenyl)sulfonylamino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-[(2,3-dichlorophenyl)sulfonylamino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-[(2,3-dichlorophenyl)sulfonylamino]-5-oxopentanoic acid is NC(=O)CC[C@H](NS(=O)(=O)c1cccc(Cl)c1Cl)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-[(2,3-dichlorophenyl)sulfonylamino]-5-oxopentanoic acid?
The InChIKey is HKWMSQKKQNNKMU-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H12Cl2N2O5S/c12-6-2-1-3-8(10(6)13)21(19,20)15-7(11(17)18)4-5-9(14)16/h1-3,7,15H,4-5H2,(H2,14,16)(H,17,18)/t7-/m0/s1.
What are the key properties of (2S)-5-amino-2-[(2,3-dichlorophenyl)sulfonylamino]-5-oxopentanoic acid?
(2S)-5-amino-2-[(2,3-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 (2S)-5-amino-2-[(2,3-dichlorophenyl)sulfonylamino]-5-oxopentanoic acid is sourced from PubChem (CID 61141276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).