2-[(2,4-dibromophenyl)sulfonylamino]-2-methylpentanoic acid

C12H15Br2NO4S — CID 60824677

IUPAC2-[(2,4-dibromophenyl)sulfonylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NS(=O)(=O)c1ccc(Br)cc1Br)C(=O)O
InChIInChI=1S/C12H15Br2NO4S/c1-3-6-12(2,11(16)17)15-20(18,19)10-5-4-8(13)7-9(10)14/h4-5,7,15H,3,6H2,1-2H3,(H,16,17)
InChIKeyVYFVISPIMPMERF-UHFFFAOYSA-N
MW429.13 g/mol
LogP3.13
Rot. Bonds6

About 2-[(2,4-dibromophenyl)sulfonylamino]-2-methylpentanoic acid

2-[(2,4-dibromophenyl)sulfonylamino]-2-methylpentanoic acid (PubChem CID 60824677) has the molecular formula C12H15Br2NO4S and a molecular weight of 429.13 g/mol. Its IUPAC name is 2-[(2,4-dibromophenyl)sulfonylamino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(2,4-dibromophenyl)sulfonylamino]-2-methylpentanoic acid
PubChem CID60824677
Molecular FormulaC12H15Br2NO4S
Molecular Weight429.13 g/mol
Exact Mass426.91
IUPAC Name2-[(2,4-dibromophenyl)sulfonylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NS(=O)(=O)c1ccc(Br)cc1Br)C(=O)O
InChIInChI=1S/C12H15Br2NO4S/c1-3-6-12(2,11(16)17)15-20(18,19)10-5-4-8(13)7-9(10)14/h4-5,7,15H,3,6H2,1-2H3,(H,16,17)
InChIKeyVYFVISPIMPMERF-UHFFFAOYSA-N
XLogP3.13
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.13
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 114153291
2,4-dibromo-N-(1-hydroxy-2-methylbutan-2-yl)benzenesulfonamide
CID 64557229
2-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-methylpentanoic acid
CID 43619191
2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-methylpentanoic acid
CID 43619283
2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-methylpentanoic acid
CID 43619230
2-[(3,4-dichlorophenyl)sulfonylamino]-2-methylpentanoic acid
CID 43619247
2-[(2,4-dibromophenyl)sulfonylamino]acetic acid
CID 60823111
2-[(2-bromo-4-methylphenyl)sulfonylamino]-2-ethylbutanoic acid
CID 79807344
2-[(4-ethoxyphenyl)sulfonylamino]-2-methylpentanoic acid
CID 43619270
2,4-dibromo-1-propylsulfonylbenzene
CID 123878797
(2R)-2-[(2,4-dibromophenyl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 103927043
2-[(4-bromophenyl)methylamino]-2-methylpentanoic acid
CID 43619765

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dibromophenyl)sulfonylamino]-2-methylpentanoic acid?
The IUPAC name of 2-[(2,4-dibromophenyl)sulfonylamino]-2-methylpentanoic acid (CID 60824677) is 2-[(2,4-dibromophenyl)sulfonylamino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(2,4-dibromophenyl)sulfonylamino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(2,4-dibromophenyl)sulfonylamino]-2-methylpentanoic acid is CCCC(C)(NS(=O)(=O)c1ccc(Br)cc1Br)C(=O)O.
What is the InChIKey of 2-[(2,4-dibromophenyl)sulfonylamino]-2-methylpentanoic acid?
The InChIKey is VYFVISPIMPMERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO4S/c1-3-6-12(2,11(16)17)15-20(18,19)10-5-4-8(13)7-9(10)14/h4-5,7,15H,3,6H2,1-2H3,(H,16,17).
What are the key properties of 2-[(2,4-dibromophenyl)sulfonylamino]-2-methylpentanoic acid?
2-[(2,4-dibromophenyl)sulfonylamino]-2-methylpentanoic acid has a molecular weight of 429.13 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dibromophenyl)sulfonylamino]-2-methylpentanoic acid is sourced from PubChem (CID 60824677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).