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

C10H10BrClN2O5S — CID 43084164

IUPAC4-amino-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-4-oxobutanoic acid
SMILESNC(=O)CC(NS(=O)(=O)c1ccc(Br)cc1Cl)C(=O)O
InChIInChI=1S/C10H10BrClN2O5S/c11-5-1-2-8(6(12)3-5)20(18,19)14-7(10(16)17)4-9(13)15/h1-3,7,14H,4H2,(H2,13,15)(H,16,17)
InChIKeyRZXQXGQUZQDENQ-UHFFFAOYSA-N
MW385.62 g/mol
LogP0.71
Rot. Bonds6

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

4-amino-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-4-oxobutanoic acid (PubChem CID 43084164) has the molecular formula C10H10BrClN2O5S and a molecular weight of 385.62 g/mol. Its IUPAC name is 4-amino-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-amino-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-4-oxobutanoic acid
PubChem CID43084164
Molecular FormulaC10H10BrClN2O5S
Molecular Weight385.62 g/mol
Exact Mass383.92
IUPAC Name4-amino-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-4-oxobutanoic acid
SMILESNC(=O)CC(NS(=O)(=O)c1ccc(Br)cc1Cl)C(=O)O
InChIInChI=1S/C10H10BrClN2O5S/c11-5-1-2-8(6(12)3-5)20(18,19)14-7(10(16)17)4-9(13)15/h1-3,7,14H,4H2,(H2,13,15)(H,16,17)
InChIKeyRZXQXGQUZQDENQ-UHFFFAOYSA-N
XLogP0.71
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.62
LogP ≤ 50.71
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
(2R)-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 28828960
(2R)-4-amino-2-[(2-chlorophenyl)sulfonylamino]-4-oxobutanoic acid
CID 28828867
(2S)-5-amino-2-[(2-chloro-4-methylphenyl)sulfonylamino]-5-oxopentanoic acid
CID 61141634
2-[(4-bromo-2-chlorophenyl)sulfonylamino]butanethioamide
CID 61122645
(2S)-4-amino-2-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-4-oxobutanoic acid
CID 103087667
methyl 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-hydroxypropanoate
CID 43405405
(2S)-2-[(2,4-dichlorophenyl)sulfonylamino]butanedioic acid
CID 154863455
5-amino-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 43245034
(2S)-4-amino-2-[(2-chloro-5-cyanophenyl)sulfonylamino]-4-oxobutanoic acid
CID 80696808
2-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 43084117
4-amino-2-[(3-chlorophenyl)sulfonylamino]-4-oxobutanoic acid
CID 43084159

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-4-oxobutanoic acid?
The IUPAC name of 4-amino-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-4-oxobutanoic acid (CID 43084164) is 4-amino-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-amino-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-amino-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-4-oxobutanoic acid is NC(=O)CC(NS(=O)(=O)c1ccc(Br)cc1Cl)C(=O)O.
What is the InChIKey of 4-amino-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-4-oxobutanoic acid?
The InChIKey is RZXQXGQUZQDENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN2O5S/c11-5-1-2-8(6(12)3-5)20(18,19)14-7(10(16)17)4-9(13)15/h1-3,7,14H,4H2,(H2,13,15)(H,16,17).
What are the key properties of 4-amino-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-4-oxobutanoic acid?
4-amino-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-4-oxobutanoic acid has a molecular weight of 385.62 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-4-oxobutanoic acid is sourced from PubChem (CID 43084164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).