2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid

C11H12BrCl2NO4S — CID 79793309

IUPAC2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid
SMILESCCC(C)(NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)C(=O)O
InChIInChI=1S/C11H12BrCl2NO4S/c1-3-11(2,10(16)17)15-20(18,19)9-7(13)4-6(12)5-8(9)14/h4-5,15H,3H2,1-2H3,(H,16,17)
InChIKeyAYWJVCIVQBGMQC-UHFFFAOYSA-N
MW405.10 g/mol
LogP3.29
Rot. Bonds5

About 2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid

2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid (PubChem CID 79793309) has the molecular formula C11H12BrCl2NO4S and a molecular weight of 405.10 g/mol. Its IUPAC name is 2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid
PubChem CID79793309
Molecular FormulaC11H12BrCl2NO4S
Molecular Weight405.10 g/mol
Exact Mass402.90
IUPAC Name2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid
SMILESCCC(C)(NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)C(=O)O
InChIInChI=1S/C11H12BrCl2NO4S/c1-3-11(2,10(16)17)15-20(18,19)9-7(13)4-6(12)5-8(9)14/h4-5,15H,3H2,1-2H3,(H,16,17)
InChIKeyAYWJVCIVQBGMQC-UHFFFAOYSA-N
XLogP3.29
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.10
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chloro-4-methylphenyl)sulfonylamino]-2-methylbutanoic acid
CID 79793090
2-[(3,5-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid
CID 79792778
4-bromo-2,6-dichloro-N-ethylbenzenesulfonamide
CID 2448035
2-[(4-bromo-2,6-dichlorophenyl)sulfonyl-ethylamino]-2-methylpropanoic acid
CID 62817485
2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]pentanoic acid
CID 43631162
2-[(4-bromo-2-chlorobenzoyl)amino]-2-methylbutanoic acid
CID 79793235
2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]oxyacetic acid
CID 60661245
4-bromo-2,6-dichloro-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide
CID 82723965
4-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540502
4-bromo-2,6-dichloro-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 115650766
4-bromo-2,6-dichloro-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83147534
2-methyl-2-[(2,4,6-tribromophenyl)carbamoylamino]butanoic acid
CID 79799059

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid?
The IUPAC name of 2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid (CID 79793309) is 2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid?
The canonical SMILES for 2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid is CCC(C)(NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)C(=O)O.
What is the InChIKey of 2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid?
The InChIKey is AYWJVCIVQBGMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrCl2NO4S/c1-3-11(2,10(16)17)15-20(18,19)9-7(13)4-6(12)5-8(9)14/h4-5,15H,3H2,1-2H3,(H,16,17).
What are the key properties of 2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid?
2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid has a molecular weight of 405.10 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid is sourced from PubChem (CID 79793309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).