(2R)-2-[(2-bromo-6-chlorophenyl)sulfonylamino]-3-methylbutanoic acid

C11H13BrClNO4S — CID 120782373

IUPAC(2R)-2-[(2-bromo-6-chlorophenyl)sulfonylamino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NS(=O)(=O)c1c(Cl)cccc1Br)C(=O)O
InChIInChI=1S/C11H13BrClNO4S/c1-6(2)9(11(15)16)14-19(17,18)10-7(12)4-3-5-8(10)13/h3-6,9,14H,1-2H3,(H,15,16)/t9-/m1/s1
InChIKeyOTVVWKBCVMRPGL-SECBINFHSA-N
MW370.65 g/mol
LogP2.49
Rot. Bonds5

About (2R)-2-[(2-bromo-6-chlorophenyl)sulfonylamino]-3-methylbutanoic acid

(2R)-2-[(2-bromo-6-chlorophenyl)sulfonylamino]-3-methylbutanoic acid (PubChem CID 120782373) has the molecular formula C11H13BrClNO4S and a molecular weight of 370.65 g/mol. Its IUPAC name is (2R)-2-[(2-bromo-6-chlorophenyl)sulfonylamino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-bromo-6-chlorophenyl)sulfonylamino]-3-methylbutanoic acid
PubChem CID120782373
Molecular FormulaC11H13BrClNO4S
Molecular Weight370.65 g/mol
Exact Mass368.94
IUPAC Name(2R)-2-[(2-bromo-6-chlorophenyl)sulfonylamino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NS(=O)(=O)c1c(Cl)cccc1Br)C(=O)O
InChIInChI=1S/C11H13BrClNO4S/c1-6(2)9(11(15)16)14-19(17,18)10-7(12)4-3-5-8(10)13/h3-6,9,14H,1-2H3,(H,15,16)/t9-/m1/s1
InChIKeyOTVVWKBCVMRPGL-SECBINFHSA-N
XLogP2.49
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.65
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2,3-dichlorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 61137287
(2R)-2-[(3-chloro-2-methylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 79010898
(2S)-2-[(2,6-dichlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 61173816
2-[(2,6-dichloro-4-fluorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 122067838
2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 43237791
(2S,3R)-2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 28828747
(2R)-2-[(2,6-dichlorophenyl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 103927101
(2S)-2-(benzenesulfonamido)-3-methylbutanoic acid;methane
CID 158887122
(2R)-2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-3-methylbutanoic acid
CID 80577603
(2S)-2-(2,6-dichloroanilino)-3-methylbutanoic acid
CID 54414123
(2R)-2-[(2,6-dichlorophenyl)sulfonylamino]propanoate
CID 6922951
(2R)-3-methyl-2-[[4-(4-phenylphenyl)phenyl]sulfonylamino]butanoic acid
CID 71347191

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-bromo-6-chlorophenyl)sulfonylamino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[(2-bromo-6-chlorophenyl)sulfonylamino]-3-methylbutanoic acid (CID 120782373) is (2R)-2-[(2-bromo-6-chlorophenyl)sulfonylamino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[(2-bromo-6-chlorophenyl)sulfonylamino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[(2-bromo-6-chlorophenyl)sulfonylamino]-3-methylbutanoic acid is CC(C)[C@@H](NS(=O)(=O)c1c(Cl)cccc1Br)C(=O)O.
What is the InChIKey of (2R)-2-[(2-bromo-6-chlorophenyl)sulfonylamino]-3-methylbutanoic acid?
The InChIKey is OTVVWKBCVMRPGL-SECBINFHSA-N. The full InChI is InChI=1S/C11H13BrClNO4S/c1-6(2)9(11(15)16)14-19(17,18)10-7(12)4-3-5-8(10)13/h3-6,9,14H,1-2H3,(H,15,16)/t9-/m1/s1.
What are the key properties of (2R)-2-[(2-bromo-6-chlorophenyl)sulfonylamino]-3-methylbutanoic acid?
(2R)-2-[(2-bromo-6-chlorophenyl)sulfonylamino]-3-methylbutanoic acid has a molecular weight of 370.65 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-bromo-6-chlorophenyl)sulfonylamino]-3-methylbutanoic acid is sourced from PubChem (CID 120782373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).