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

C11H12BrCl2NO4S — CID 43631162

IUPAC2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]pentanoic acid
SMILESCCCC(NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)C(=O)O
InChIInChI=1S/C11H12BrCl2NO4S/c1-2-3-9(11(16)17)15-20(18,19)10-7(13)4-6(12)5-8(10)14/h4-5,9,15H,2-3H2,1H3,(H,16,17)
InChIKeyAIIPLXNFHJJWER-UHFFFAOYSA-N
MW405.10 g/mol
LogP3.29
Rot. Bonds6

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

2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]pentanoic acid (PubChem CID 43631162) 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]pentanoic acid.

Molecular Properties

Compound Name2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]pentanoic acid
PubChem CID43631162
Molecular FormulaC11H12BrCl2NO4S
Molecular Weight405.10 g/mol
Exact Mass402.90
IUPAC Name2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]pentanoic acid
SMILESCCCC(NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)C(=O)O
InChIInChI=1S/C11H12BrCl2NO4S/c1-2-3-9(11(16)17)15-20(18,19)10-7(13)4-6(12)5-8(10)14/h4-5,9,15H,2-3H2,1H3,(H,16,17)
InChIKeyAIIPLXNFHJJWER-UHFFFAOYSA-N
XLogP3.29
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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-[(2,4,6-trichlorophenyl)sulfonylamino]hexanoic acid
CID 43470072
(2R)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]pentanoic acid
CID 104935403
(2S)-4-hydroxy-2-[(2,4,6-trichlorophenyl)sulfonylamino]butanoic acid
CID 104935094
(2R)-2-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid
CID 93252465
4-hydroxy-2-[(2,4,6-trichlorophenyl)sulfonylamino]butanoic acid
CID 61244228
4-bromo-2,6-dichloro-N-hex-1-yn-3-ylbenzenesulfonamide
CID 106228954
4-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540502
(2S,3R)-2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 28828747
(2S)-2-[(4-chlorophenyl)sulfonylamino]pentanoic acid
CID 788533
2-[(2-chloro-5-fluorophenyl)sulfonylamino]pentanoic acid
CID 104739176
(2S)-2-[(4-bromo-2-fluorophenyl)sulfonylamino]pentanoic acid
CID 104934862
2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]pentanoic acid
CID 79989177

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]pentanoic acid?
The IUPAC name of 2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]pentanoic acid (CID 43631162) is 2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]pentanoic acid.
What is the SMILES notation for 2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]pentanoic acid?
The canonical SMILES for 2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]pentanoic acid is CCCC(NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)C(=O)O.
What is the InChIKey of 2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]pentanoic acid?
The InChIKey is AIIPLXNFHJJWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrCl2NO4S/c1-2-3-9(11(16)17)15-20(18,19)10-7(13)4-6(12)5-8(10)14/h4-5,9,15H,2-3H2,1H3,(H,16,17).
What are the key properties of 2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]pentanoic acid?
2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]pentanoic acid has a molecular weight of 405.10 g/mol, XLogP of 3.29, 6 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]pentanoic acid is sourced from PubChem (CID 43631162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).