2-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-hydroxybutanoic acid

C10H11BrClNO5S — CID 43084117

IUPAC2-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-hydroxybutanoic acid
SMILESCC(O)C(NS(=O)(=O)c1ccc(Br)cc1Cl)C(=O)O
InChIInChI=1S/C10H11BrClNO5S/c1-5(14)9(10(15)16)13-19(17,18)8-3-2-6(11)4-7(8)12/h2-5,9,13-14H,1H3,(H,15,16)
InChIKeyUYFORBHDDJBLPK-UHFFFAOYSA-N
MW372.62 g/mol
LogP1.21
Rot. Bonds5

About 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-hydroxybutanoic acid

2-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-hydroxybutanoic acid (PubChem CID 43084117) has the molecular formula C10H11BrClNO5S and a molecular weight of 372.62 g/mol. Its IUPAC name is 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-hydroxybutanoic acid
PubChem CID43084117
Molecular FormulaC10H11BrClNO5S
Molecular Weight372.62 g/mol
Exact Mass370.92
IUPAC Name2-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-hydroxybutanoic acid
SMILESCC(O)C(NS(=O)(=O)c1ccc(Br)cc1Cl)C(=O)O
InChIInChI=1S/C10H11BrClNO5S/c1-5(14)9(10(15)16)13-19(17,18)8-3-2-6(11)4-7(8)12/h2-5,9,13-14H,1H3,(H,15,16)
InChIKeyUYFORBHDDJBLPK-UHFFFAOYSA-N
XLogP1.21
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.62
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R)-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 104935327
(2S,3R)-2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 28828747
(2S,3R)-2-[(3-bromophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 28828771
(2R)-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 28828960
4-bromo-N-butan-2-yl-2-chlorobenzenesulfonamide
CID 42997510
3-[[(1R,2S)-1-carboxy-2-hydroxypropyl]sulfamoyl]-4-chlorobenzoic acid
CID 7745996
2-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 114517798
2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 47203596
4-bromo-2-chloro-N-(1-cyclopropylethyl)benzenesulfonamide
CID 47113577
(2S,3R)-2-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 93302578
4-amino-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-4-oxobutanoic acid
CID 43084164
methyl 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-hydroxypropanoate
CID 43405405

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-hydroxybutanoic acid?
The IUPAC name of 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-hydroxybutanoic acid (CID 43084117) is 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-hydroxybutanoic acid.
What is the SMILES notation for 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-hydroxybutanoic acid?
The canonical SMILES for 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-hydroxybutanoic acid is CC(O)C(NS(=O)(=O)c1ccc(Br)cc1Cl)C(=O)O.
What is the InChIKey of 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-hydroxybutanoic acid?
The InChIKey is UYFORBHDDJBLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO5S/c1-5(14)9(10(15)16)13-19(17,18)8-3-2-6(11)4-7(8)12/h2-5,9,13-14H,1H3,(H,15,16).
What are the key properties of 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-hydroxybutanoic acid?
2-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-hydroxybutanoic acid has a molecular weight of 372.62 g/mol, XLogP of 1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-hydroxybutanoic acid is sourced from PubChem (CID 43084117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).