(2R)-4-amino-2-[(2-chlorophenyl)sulfonylamino]-4-oxobutanoic acid

C10H11ClN2O5S — CID 28828867

IUPAC(2R)-4-amino-2-[(2-chlorophenyl)sulfonylamino]-4-oxobutanoic acid
SMILESNC(=O)C[C@@H](NS(=O)(=O)c1ccccc1Cl)C(=O)O
InChIInChI=1S/C10H11ClN2O5S/c11-6-3-1-2-4-8(6)19(17,18)13-7(10(15)16)5-9(12)14/h1-4,7,13H,5H2,(H2,12,14)(H,15,16)/t7-/m1/s1
InChIKeyXMYGVMHZSBEHDF-SSDOTTSWSA-N
MW306.73 g/mol
LogP-0.05
Rot. Bonds6

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

(2R)-4-amino-2-[(2-chlorophenyl)sulfonylamino]-4-oxobutanoic acid (PubChem CID 28828867) has the molecular formula C10H11ClN2O5S and a molecular weight of 306.73 g/mol. Its IUPAC name is (2R)-4-amino-2-[(2-chlorophenyl)sulfonylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-2-[(2-chlorophenyl)sulfonylamino]-4-oxobutanoic acid
PubChem CID28828867
Molecular FormulaC10H11ClN2O5S
Molecular Weight306.73 g/mol
Exact Mass306.01
IUPAC Name(2R)-4-amino-2-[(2-chlorophenyl)sulfonylamino]-4-oxobutanoic acid
SMILESNC(=O)C[C@@H](NS(=O)(=O)c1ccccc1Cl)C(=O)O
InChIInChI=1S/C10H11ClN2O5S/c11-6-3-1-2-4-8(6)19(17,18)13-7(10(15)16)5-9(12)14/h1-4,7,13H,5H2,(H2,12,14)(H,15,16)/t7-/m1/s1
InChIKeyXMYGVMHZSBEHDF-SSDOTTSWSA-N
XLogP-0.05
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.73
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chlorophenyl)sulfonylamino]butanedioic acid
CID 71628754
(2R)-2-[(2-chlorophenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 28831674
4-amino-2-(naphthalen-1-ylsulfonylamino)-4-oxobutanoic acid
CID 22476015
4-amino-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-4-oxobutanoic acid
CID 43084164
(2S)-4-amino-2-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-4-oxobutanoic acid
CID 103087667
(2S)-4-amino-2-[(2-chloro-5-cyanophenyl)sulfonylamino]-4-oxobutanoic acid
CID 80696808
(2S)-5-amino-2-[(2,3-dichlorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 61141276
4-amino-2-[(3-chlorophenyl)sulfonylamino]-4-oxobutanoic acid
CID 43084159
(2R)-4-amino-2-[(2,5-dimethylphenyl)sulfonylamino]-4-oxobutanoic acid
CID 28828841
4-amino-2-[(2,5-dimethylphenyl)sulfonylamino]-4-oxobutanoic acid
CID 43084160
(2R)-4-amino-2-[(2-chlorobenzoyl)amino]-4-oxobutanoic acid
CID 2302928
(2S)-2-[(2,4-dichlorophenyl)sulfonylamino]butanedioic acid
CID 154863455

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-2-[(2-chlorophenyl)sulfonylamino]-4-oxobutanoic acid?
The IUPAC name of (2R)-4-amino-2-[(2-chlorophenyl)sulfonylamino]-4-oxobutanoic acid (CID 28828867) is (2R)-4-amino-2-[(2-chlorophenyl)sulfonylamino]-4-oxobutanoic acid.
What is the SMILES notation for (2R)-4-amino-2-[(2-chlorophenyl)sulfonylamino]-4-oxobutanoic acid?
The canonical SMILES for (2R)-4-amino-2-[(2-chlorophenyl)sulfonylamino]-4-oxobutanoic acid is NC(=O)C[C@@H](NS(=O)(=O)c1ccccc1Cl)C(=O)O.
What is the InChIKey of (2R)-4-amino-2-[(2-chlorophenyl)sulfonylamino]-4-oxobutanoic acid?
The InChIKey is XMYGVMHZSBEHDF-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H11ClN2O5S/c11-6-3-1-2-4-8(6)19(17,18)13-7(10(15)16)5-9(12)14/h1-4,7,13H,5H2,(H2,12,14)(H,15,16)/t7-/m1/s1.
What are the key properties of (2R)-4-amino-2-[(2-chlorophenyl)sulfonylamino]-4-oxobutanoic acid?
(2R)-4-amino-2-[(2-chlorophenyl)sulfonylamino]-4-oxobutanoic acid has a molecular weight of 306.73 g/mol, XLogP of -0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-2-[(2-chlorophenyl)sulfonylamino]-4-oxobutanoic acid is sourced from PubChem (CID 28828867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).