(2R)-2-[(2,4-dibromophenyl)sulfonylamino]-3,3-dimethylbutanoic acid

C12H15Br2NO4S — CID 103927043

IUPAC(2R)-2-[(2,4-dibromophenyl)sulfonylamino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@@H](NS(=O)(=O)c1ccc(Br)cc1Br)C(=O)O
InChIInChI=1S/C12H15Br2NO4S/c1-12(2,3)10(11(16)17)15-20(18,19)9-5-4-7(13)6-8(9)14/h4-6,10,15H,1-3H3,(H,16,17)/t10-/m0/s1
InChIKeyCLBYPBKFCOHLOV-JTQLQIEISA-N
MW429.13 g/mol
LogP2.99
Rot. Bonds4

About (2R)-2-[(2,4-dibromophenyl)sulfonylamino]-3,3-dimethylbutanoic acid

(2R)-2-[(2,4-dibromophenyl)sulfonylamino]-3,3-dimethylbutanoic acid (PubChem CID 103927043) has the molecular formula C12H15Br2NO4S and a molecular weight of 429.13 g/mol. Its IUPAC name is (2R)-2-[(2,4-dibromophenyl)sulfonylamino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2,4-dibromophenyl)sulfonylamino]-3,3-dimethylbutanoic acid
PubChem CID103927043
Molecular FormulaC12H15Br2NO4S
Molecular Weight429.13 g/mol
Exact Mass426.91
IUPAC Name(2R)-2-[(2,4-dibromophenyl)sulfonylamino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@@H](NS(=O)(=O)c1ccc(Br)cc1Br)C(=O)O
InChIInChI=1S/C12H15Br2NO4S/c1-12(2,3)10(11(16)17)15-20(18,19)9-5-4-7(13)6-8(9)14/h4-6,10,15H,1-3H3,(H,16,17)/t10-/m0/s1
InChIKeyCLBYPBKFCOHLOV-JTQLQIEISA-N
XLogP2.99
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.13
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(3-bromo-4-chlorophenyl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 106605293
(2S)-2-(benzenesulfonamido)-3,3-dimethylbutanoic acid
CID 61142132
2-[(2,4-dibromophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 47304785
2-[[2-bromo-4-(4-bromophenyl)phenyl]sulfonylamino]-3-methylbutanoic acid
CID 70184700
(2S)-2-[(3,4-dimethylphenyl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 61141889
5-[(2,4-dibromophenyl)sulfonylamino]hexanoic acid
CID 82855023
2-[(4-iodophenyl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 43468127
(2R)-2-[(5-bromothiophen-2-yl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 113353088
(2R)-2-[(2,5-dibromophenyl)sulfonylamino]propanoic acid
CID 54991538
2-[(2,4-dibromophenyl)sulfonylamino]acetic acid
CID 60823111
2,4-dibromo-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 65048629
3,3-dimethyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]butanoic acid
CID 43468075

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,4-dibromophenyl)sulfonylamino]-3,3-dimethylbutanoic acid?
The IUPAC name of (2R)-2-[(2,4-dibromophenyl)sulfonylamino]-3,3-dimethylbutanoic acid (CID 103927043) is (2R)-2-[(2,4-dibromophenyl)sulfonylamino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2R)-2-[(2,4-dibromophenyl)sulfonylamino]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2R)-2-[(2,4-dibromophenyl)sulfonylamino]-3,3-dimethylbutanoic acid is CC(C)(C)[C@@H](NS(=O)(=O)c1ccc(Br)cc1Br)C(=O)O.
What is the InChIKey of (2R)-2-[(2,4-dibromophenyl)sulfonylamino]-3,3-dimethylbutanoic acid?
The InChIKey is CLBYPBKFCOHLOV-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15Br2NO4S/c1-12(2,3)10(11(16)17)15-20(18,19)9-5-4-7(13)6-8(9)14/h4-6,10,15H,1-3H3,(H,16,17)/t10-/m0/s1.
What are the key properties of (2R)-2-[(2,4-dibromophenyl)sulfonylamino]-3,3-dimethylbutanoic acid?
(2R)-2-[(2,4-dibromophenyl)sulfonylamino]-3,3-dimethylbutanoic acid has a molecular weight of 429.13 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,4-dibromophenyl)sulfonylamino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 103927043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).