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

C12H15BrClNO4S — CID 28828960

IUPAC(2R)-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NS(=O)(=O)c1ccc(Br)cc1Cl)C(=O)O
InChIInChI=1S/C12H15BrClNO4S/c1-7(2)5-10(12(16)17)15-20(18,19)11-4-3-8(13)6-9(11)14/h3-4,6-7,10,15H,5H2,1-2H3,(H,16,17)/t10-/m1/s1
InChIKeyLKDRJEYASUPKEB-SNVBAGLBSA-N
MW384.68 g/mol
LogP2.88
Rot. Bonds6

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

(2R)-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-4-methylpentanoic acid (PubChem CID 28828960) has the molecular formula C12H15BrClNO4S and a molecular weight of 384.68 g/mol. Its IUPAC name is (2R)-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-4-methylpentanoic acid
PubChem CID28828960
Molecular FormulaC12H15BrClNO4S
Molecular Weight384.68 g/mol
Exact Mass382.96
IUPAC Name(2R)-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NS(=O)(=O)c1ccc(Br)cc1Cl)C(=O)O
InChIInChI=1S/C12H15BrClNO4S/c1-7(2)5-10(12(16)17)15-20(18,19)11-4-3-8(13)6-9(11)14/h3-4,6-7,10,15H,5H2,1-2H3,(H,16,17)/t10-/m1/s1
InChIKeyLKDRJEYASUPKEB-SNVBAGLBSA-N
XLogP2.88
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.68
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 61154149
(2R)-2-[(2,5-dibromophenyl)sulfonylamino]-4-methylpentanoic acid
CID 28828956
4-amino-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-4-oxobutanoic acid
CID 43084164
(2R)-5-amino-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 28829198
2-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 43084117
2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-4-methylpentanoic acid
CID 18914695
methyl 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-hydroxypropanoate
CID 43405405
N-(1-amino-4-methylpentan-2-yl)-4-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 119983138
2-[[2-[(1-carboxy-3-methylbutyl)sulfamoyl]phenyl]sulfonylamino]-4-methylpentanoic acid
CID 24761708
2-[(3-chloro-2-methylphenyl)sulfonylamino]-4-methylpentanoic acid
CID 43361242
(2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 28828970
(2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 7061989

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-4-methylpentanoic acid (CID 28828960) is (2R)-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-4-methylpentanoic acid is CC(C)C[C@@H](NS(=O)(=O)c1ccc(Br)cc1Cl)C(=O)O.
What is the InChIKey of (2R)-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-4-methylpentanoic acid?
The InChIKey is LKDRJEYASUPKEB-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15BrClNO4S/c1-7(2)5-10(12(16)17)15-20(18,19)11-4-3-8(13)6-9(11)14/h3-4,6-7,10,15H,5H2,1-2H3,(H,16,17)/t10-/m1/s1.
What are the key properties of (2R)-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-4-methylpentanoic acid?
(2R)-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-4-methylpentanoic acid has a molecular weight of 384.68 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-4-methylpentanoic acid is sourced from PubChem (CID 28828960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).