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

C10H11BrClNO4S — CID 106605478

IUPAC(2R)-2-[(3-bromo-4-chlorophenyl)sulfonylamino]butanoic acid
SMILESCC[C@@H](NS(=O)(=O)c1ccc(Cl)c(Br)c1)C(=O)O
InChIInChI=1S/C10H11BrClNO4S/c1-2-9(10(14)15)13-18(16,17)6-3-4-8(12)7(11)5-6/h3-5,9,13H,2H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeyFBINTUJRMZMHGF-SECBINFHSA-N
MW356.63 g/mol
LogP2.24
Rot. Bonds5

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

(2R)-2-[(3-bromo-4-chlorophenyl)sulfonylamino]butanoic acid (PubChem CID 106605478) has the molecular formula C10H11BrClNO4S and a molecular weight of 356.63 g/mol. Its IUPAC name is (2R)-2-[(3-bromo-4-chlorophenyl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-bromo-4-chlorophenyl)sulfonylamino]butanoic acid
PubChem CID106605478
Molecular FormulaC10H11BrClNO4S
Molecular Weight356.63 g/mol
Exact Mass354.93
IUPAC Name(2R)-2-[(3-bromo-4-chlorophenyl)sulfonylamino]butanoic acid
SMILESCC[C@@H](NS(=O)(=O)c1ccc(Cl)c(Br)c1)C(=O)O
InChIInChI=1S/C10H11BrClNO4S/c1-2-9(10(14)15)13-18(16,17)6-3-4-8(12)7(11)5-6/h3-5,9,13H,2H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeyFBINTUJRMZMHGF-SECBINFHSA-N
XLogP2.24
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.63
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(3-bromo-4-chlorophenyl)sulfonylamino]-4-methoxy-4-oxobutanoic acid
CID 106605388
2-[(3-bromo-4-chlorophenyl)sulfonylamino]pentanedioic acid
CID 106605240
2-[(3-bromo-4-chlorophenyl)sulfonylamino]pent-4-enoic acid
CID 106605598
(2S)-2-[(4-bromo-3-fluorophenyl)sulfonylamino]butanoic acid
CID 104935577
2-[(2-chloro-5-methylsulfonylphenyl)sulfonylamino]butanoic acid
CID 43415212
(2S)-2-[(3-bromo-4-chlorophenyl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 106605293
2-[[7-(1-carboxypropylsulfamoyl)-9-oxofluoren-2-yl]sulfonylamino]butanoic acid
CID 3110544
3-bromo-4-chloro-N-propan-2-ylbenzenesulfonamide
CID 106545028
3-bromo-4-chloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 106546351
(2R)-2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]butanoic acid
CID 80577604
2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butanoic acid
CID 43405402
2-[(4-aminophenyl)sulfonylamino]butanoic acid
CID 71945727

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-bromo-4-chlorophenyl)sulfonylamino]butanoic acid?
The IUPAC name of (2R)-2-[(3-bromo-4-chlorophenyl)sulfonylamino]butanoic acid (CID 106605478) is (2R)-2-[(3-bromo-4-chlorophenyl)sulfonylamino]butanoic acid.
What is the SMILES notation for (2R)-2-[(3-bromo-4-chlorophenyl)sulfonylamino]butanoic acid?
The canonical SMILES for (2R)-2-[(3-bromo-4-chlorophenyl)sulfonylamino]butanoic acid is CC[C@@H](NS(=O)(=O)c1ccc(Cl)c(Br)c1)C(=O)O.
What is the InChIKey of (2R)-2-[(3-bromo-4-chlorophenyl)sulfonylamino]butanoic acid?
The InChIKey is FBINTUJRMZMHGF-SECBINFHSA-N. The full InChI is InChI=1S/C10H11BrClNO4S/c1-2-9(10(14)15)13-18(16,17)6-3-4-8(12)7(11)5-6/h3-5,9,13H,2H2,1H3,(H,14,15)/t9-/m1/s1.
What are the key properties of (2R)-2-[(3-bromo-4-chlorophenyl)sulfonylamino]butanoic acid?
(2R)-2-[(3-bromo-4-chlorophenyl)sulfonylamino]butanoic acid has a molecular weight of 356.63 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-bromo-4-chlorophenyl)sulfonylamino]butanoic acid is sourced from PubChem (CID 106605478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).