5-[(2,4-dibromophenyl)sulfonylamino]hexanoic acid

C12H15Br2NO4S — CID 82855023

IUPAC5-[(2,4-dibromophenyl)sulfonylamino]hexanoic acid
SMILESCC(CCCC(=O)O)NS(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C12H15Br2NO4S/c1-8(3-2-4-12(16)17)15-20(18,19)11-6-5-9(13)7-10(11)14/h5-8,15H,2-4H2,1H3,(H,16,17)
InChIKeyAWTJBQVKCXSIAW-UHFFFAOYSA-N
MW429.13 g/mol
LogP3.13
Rot. Bonds7

About 5-[(2,4-dibromophenyl)sulfonylamino]hexanoic acid

5-[(2,4-dibromophenyl)sulfonylamino]hexanoic acid (PubChem CID 82855023) has the molecular formula C12H15Br2NO4S and a molecular weight of 429.13 g/mol. Its IUPAC name is 5-[(2,4-dibromophenyl)sulfonylamino]hexanoic acid.

Molecular Properties

Compound Name5-[(2,4-dibromophenyl)sulfonylamino]hexanoic acid
PubChem CID82855023
Molecular FormulaC12H15Br2NO4S
Molecular Weight429.13 g/mol
Exact Mass426.91
IUPAC Name5-[(2,4-dibromophenyl)sulfonylamino]hexanoic acid
SMILESCC(CCCC(=O)O)NS(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C12H15Br2NO4S/c1-8(3-2-4-12(16)17)15-20(18,19)11-6-5-9(13)7-10(11)14/h5-8,15H,2-4H2,1H3,(H,16,17)
InChIKeyAWTJBQVKCXSIAW-UHFFFAOYSA-N
XLogP3.13
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

5-[(4-chloro-2-fluorophenyl)sulfonylamino]hexanoic acid
CID 82845347
5-[(3-chlorophenyl)sulfonylamino]hexanoic acid
CID 82854503
5-[(3-fluorophenyl)sulfonylamino]hexanoic acid
CID 82855096
(2R)-2-[(2,4-dibromophenyl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 103927043
4-bromo-2-fluoro-N-hexan-2-ylbenzenesulfonamide
CID 116528564
2-[(2,4-dibromophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 47304785
2-[(2,4-dibromophenyl)sulfonylamino]acetic acid
CID 60823111
5-[(5-chloro-2-cyanophenyl)sulfonylamino]hexanoic acid
CID 82846463
6-[(4-bromophenyl)sulfonylamino]-2-methylheptanoic acid
CID 65284826
4-[(4-bromo-3-fluorophenyl)sulfonylamino]pentanoic acid
CID 104936319
5-(4-bromoanilino)hexanoic acid
CID 155388105
2-bromo-4-methyl-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 60732124

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dibromophenyl)sulfonylamino]hexanoic acid?
The IUPAC name of 5-[(2,4-dibromophenyl)sulfonylamino]hexanoic acid (CID 82855023) is 5-[(2,4-dibromophenyl)sulfonylamino]hexanoic acid.
What is the SMILES notation for 5-[(2,4-dibromophenyl)sulfonylamino]hexanoic acid?
The canonical SMILES for 5-[(2,4-dibromophenyl)sulfonylamino]hexanoic acid is CC(CCCC(=O)O)NS(=O)(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 5-[(2,4-dibromophenyl)sulfonylamino]hexanoic acid?
The InChIKey is AWTJBQVKCXSIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO4S/c1-8(3-2-4-12(16)17)15-20(18,19)11-6-5-9(13)7-10(11)14/h5-8,15H,2-4H2,1H3,(H,16,17).
What are the key properties of 5-[(2,4-dibromophenyl)sulfonylamino]hexanoic acid?
5-[(2,4-dibromophenyl)sulfonylamino]hexanoic acid has a molecular weight of 429.13 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dibromophenyl)sulfonylamino]hexanoic acid is sourced from PubChem (CID 82855023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).