(2S,3S)-2-[(2-bromo-5-chlorophenyl)sulfonylamino]-3-methylpentanoic acid

C12H15BrClNO4S — CID 120666169

IUPAC(2S,3S)-2-[(2-bromo-5-chlorophenyl)sulfonylamino]-3-methylpentanoic acid
SMILESCC[C@H](C)[C@H](NS(=O)(=O)c1cc(Cl)ccc1Br)C(=O)O
InChIInChI=1S/C12H15BrClNO4S/c1-3-7(2)11(12(16)17)15-20(18,19)10-6-8(14)4-5-9(10)13/h4-7,11,15H,3H2,1-2H3,(H,16,17)/t7-,11-/m0/s1
InChIKeyXAXCLEAHXKLYEP-CPCISQLKSA-N
MW384.68 g/mol
LogP2.88
Rot. Bonds6

About (2S,3S)-2-[(2-bromo-5-chlorophenyl)sulfonylamino]-3-methylpentanoic acid

(2S,3S)-2-[(2-bromo-5-chlorophenyl)sulfonylamino]-3-methylpentanoic acid (PubChem CID 120666169) has the molecular formula C12H15BrClNO4S and a molecular weight of 384.68 g/mol. Its IUPAC name is (2S,3S)-2-[(2-bromo-5-chlorophenyl)sulfonylamino]-3-methylpentanoic acid.

Molecular Properties

Compound Name(2S,3S)-2-[(2-bromo-5-chlorophenyl)sulfonylamino]-3-methylpentanoic acid
PubChem CID120666169
Molecular FormulaC12H15BrClNO4S
Molecular Weight384.68 g/mol
Exact Mass382.96
IUPAC Name(2S,3S)-2-[(2-bromo-5-chlorophenyl)sulfonylamino]-3-methylpentanoic acid
SMILESCC[C@H](C)[C@H](NS(=O)(=O)c1cc(Cl)ccc1Br)C(=O)O
InChIInChI=1S/C12H15BrClNO4S/c1-3-7(2)11(12(16)17)15-20(18,19)10-6-8(14)4-5-9(10)13/h4-7,11,15H,3H2,1-2H3,(H,16,17)/t7-,11-/m0/s1
InChIKeyXAXCLEAHXKLYEP-CPCISQLKSA-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

Analyze (2S,3S)-2-[(2-bromo-5-chlorophenyl)sulfonylamino]-3-methylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[(2,5-dibromophenyl)sulfonylamino]-3-methylpentanoic acid
CID 61173478
2-[(5-chloro-2-cyanophenyl)sulfonylamino]-3-methylpentanoic acid
CID 43245317
(2S,3R)-2-[(4-chlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 6541721
2-[(3-chlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 43084241
2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-3-methylpentanoic acid
CID 43238236
2-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 105399638
(2S,3S)-2-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 103862725
(2S,3S)-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylpentanoic acid
CID 61137324
(2S,3R)-2-[(4-bromophenyl)sulfonylamino]-3-methylpentanoic acid
CID 6362488
2-[(2-chloro-5-methoxyphenyl)sulfonylamino]-3-methylpentanoic acid
CID 139021759
(2S)-2-[(2,6-dichlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 61173816
5-[(1-carboxy-2-methylbutyl)sulfamoyl]-2-chlorobenzoic acid
CID 5120365

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[(2-bromo-5-chlorophenyl)sulfonylamino]-3-methylpentanoic acid?
The IUPAC name of (2S,3S)-2-[(2-bromo-5-chlorophenyl)sulfonylamino]-3-methylpentanoic acid (CID 120666169) is (2S,3S)-2-[(2-bromo-5-chlorophenyl)sulfonylamino]-3-methylpentanoic acid.
What is the SMILES notation for (2S,3S)-2-[(2-bromo-5-chlorophenyl)sulfonylamino]-3-methylpentanoic acid?
The canonical SMILES for (2S,3S)-2-[(2-bromo-5-chlorophenyl)sulfonylamino]-3-methylpentanoic acid is CC[C@H](C)[C@H](NS(=O)(=O)c1cc(Cl)ccc1Br)C(=O)O.
What is the InChIKey of (2S,3S)-2-[(2-bromo-5-chlorophenyl)sulfonylamino]-3-methylpentanoic acid?
The InChIKey is XAXCLEAHXKLYEP-CPCISQLKSA-N. The full InChI is InChI=1S/C12H15BrClNO4S/c1-3-7(2)11(12(16)17)15-20(18,19)10-6-8(14)4-5-9(10)13/h4-7,11,15H,3H2,1-2H3,(H,16,17)/t7-,11-/m0/s1.
What are the key properties of (2S,3S)-2-[(2-bromo-5-chlorophenyl)sulfonylamino]-3-methylpentanoic acid?
(2S,3S)-2-[(2-bromo-5-chlorophenyl)sulfonylamino]-3-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 (2S,3S)-2-[(2-bromo-5-chlorophenyl)sulfonylamino]-3-methylpentanoic acid is sourced from PubChem (CID 120666169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).