4-amino-2-[(3-chlorophenyl)sulfonylamino]-4-oxobutanoic acid

C10H11ClN2O5S — CID 43084159

IUPAC4-amino-2-[(3-chlorophenyl)sulfonylamino]-4-oxobutanoic acid
SMILESNC(=O)CC(NS(=O)(=O)c1cccc(Cl)c1)C(=O)O
InChIInChI=1S/C10H11ClN2O5S/c11-6-2-1-3-7(4-6)19(17,18)13-8(10(15)16)5-9(12)14/h1-4,8,13H,5H2,(H2,12,14)(H,15,16)
InChIKeyDPDMUYMZJMBHOS-UHFFFAOYSA-N
MW306.73 g/mol
LogP-0.05
Rot. Bonds6

About 4-amino-2-[(3-chlorophenyl)sulfonylamino]-4-oxobutanoic acid

4-amino-2-[(3-chlorophenyl)sulfonylamino]-4-oxobutanoic acid (PubChem CID 43084159) has the molecular formula C10H11ClN2O5S and a molecular weight of 306.73 g/mol. Its IUPAC name is 4-amino-2-[(3-chlorophenyl)sulfonylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-amino-2-[(3-chlorophenyl)sulfonylamino]-4-oxobutanoic acid
PubChem CID43084159
Molecular FormulaC10H11ClN2O5S
Molecular Weight306.73 g/mol
Exact Mass306.01
IUPAC Name4-amino-2-[(3-chlorophenyl)sulfonylamino]-4-oxobutanoic acid
SMILESNC(=O)CC(NS(=O)(=O)c1cccc(Cl)c1)C(=O)O
InChIInChI=1S/C10H11ClN2O5S/c11-6-2-1-3-7(4-6)19(17,18)13-8(10(15)16)5-9(12)14/h1-4,8,13H,5H2,(H2,12,14)(H,15,16)
InChIKeyDPDMUYMZJMBHOS-UHFFFAOYSA-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

(2R)-4-amino-2-[(3-fluorophenyl)sulfonylamino]-4-oxobutanoic acid
CID 30052010
(2R)-2-[(3-acetylphenyl)sulfonylamino]-4-amino-4-oxobutanoic acid
CID 28538089
2-[(3-chlorophenyl)sulfonylamino]pentanoic acid
CID 43631155
2-[(3-chlorophenyl)sulfonylamino]-3-methoxypropanoic acid
CID 81076518
2-[(3-chlorophenyl)sulfonylamino]hexanoic acid
CID 43386716
(2R)-4-amino-2-[(2-chlorophenyl)sulfonylamino]-4-oxobutanoic acid
CID 28828867
(2R)-4-amino-4-oxo-2-[(4-propan-2-ylphenyl)sulfonylamino]butanoic acid
CID 104935181
(2R)-2-[(3-chlorophenyl)sulfonylamino]-2-phenylacetamide
CID 51472168
4-amino-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-4-oxobutanoic acid
CID 43084164
(2R)-4-amino-2-[(3-cyano-4-fluorophenyl)sulfonylamino]-4-oxobutanoic acid
CID 104935170
2-[(3-chlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 43084241
(3-chlorophenyl)sulfonylurea
CID 117060605

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(3-chlorophenyl)sulfonylamino]-4-oxobutanoic acid?
The IUPAC name of 4-amino-2-[(3-chlorophenyl)sulfonylamino]-4-oxobutanoic acid (CID 43084159) is 4-amino-2-[(3-chlorophenyl)sulfonylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-amino-2-[(3-chlorophenyl)sulfonylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-amino-2-[(3-chlorophenyl)sulfonylamino]-4-oxobutanoic acid is NC(=O)CC(NS(=O)(=O)c1cccc(Cl)c1)C(=O)O.
What is the InChIKey of 4-amino-2-[(3-chlorophenyl)sulfonylamino]-4-oxobutanoic acid?
The InChIKey is DPDMUYMZJMBHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O5S/c11-6-2-1-3-7(4-6)19(17,18)13-8(10(15)16)5-9(12)14/h1-4,8,13H,5H2,(H2,12,14)(H,15,16).
What are the key properties of 4-amino-2-[(3-chlorophenyl)sulfonylamino]-4-oxobutanoic acid?
4-amino-2-[(3-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 4-amino-2-[(3-chlorophenyl)sulfonylamino]-4-oxobutanoic acid is sourced from PubChem (CID 43084159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).