2-[(3,4-dichlorophenyl)sulfonylamino]-2-methylpentanoic acid

C12H15Cl2NO4S — CID 43619247

IUPAC2-[(3,4-dichlorophenyl)sulfonylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)O
InChIInChI=1S/C12H15Cl2NO4S/c1-3-6-12(2,11(16)17)15-20(18,19)8-4-5-9(13)10(14)7-8/h4-5,7,15H,3,6H2,1-2H3,(H,16,17)
InChIKeyOXKDRQLYERFKHV-UHFFFAOYSA-N
MW340.23 g/mol
LogP2.92
Rot. Bonds6

About 2-[(3,4-dichlorophenyl)sulfonylamino]-2-methylpentanoic acid

2-[(3,4-dichlorophenyl)sulfonylamino]-2-methylpentanoic acid (PubChem CID 43619247) has the molecular formula C12H15Cl2NO4S and a molecular weight of 340.23 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)sulfonylamino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)sulfonylamino]-2-methylpentanoic acid
PubChem CID43619247
Molecular FormulaC12H15Cl2NO4S
Molecular Weight340.23 g/mol
Exact Mass339.01
IUPAC Name2-[(3,4-dichlorophenyl)sulfonylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)O
InChIInChI=1S/C12H15Cl2NO4S/c1-3-6-12(2,11(16)17)15-20(18,19)8-4-5-9(13)10(14)7-8/h4-5,7,15H,3,6H2,1-2H3,(H,16,17)
InChIKeyOXKDRQLYERFKHV-UHFFFAOYSA-N
XLogP2.92
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.23
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,4-dichlorophenyl)sulfonylamino]-2,2,3-trimethylbutanoic acid
CID 65265968
2-[(4-ethoxyphenyl)sulfonylamino]-2-methylpentanoic acid
CID 43619270
2-[[4-(cyanomethyl)phenyl]sulfonylamino]-2-methylpentanoic acid
CID 79186574
3,4-dichloro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106169954
3,4-dichloro-N-(1-chloro-2-methylpropan-2-yl)benzenesulfonamide
CID 65033108
2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-methylpentanoic acid
CID 43619283
2-[(2,4-dibromophenyl)sulfonylamino]-2-methylpentanoic acid
CID 60824677
2-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-methylpentanoic acid
CID 43619191
3,4-dichloro-N-(2-phenylpropan-2-yl)benzenesulfonamide
CID 113091765
2-[(3,5-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid
CID 79792778
2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]-2-methylpentanoic acid
CID 80735306
N-tert-butyl-4-chloro-3-propanoylbenzenesulfonamide
CID 70967988

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)sulfonylamino]-2-methylpentanoic acid?
The IUPAC name of 2-[(3,4-dichlorophenyl)sulfonylamino]-2-methylpentanoic acid (CID 43619247) is 2-[(3,4-dichlorophenyl)sulfonylamino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)sulfonylamino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(3,4-dichlorophenyl)sulfonylamino]-2-methylpentanoic acid is CCCC(C)(NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)O.
What is the InChIKey of 2-[(3,4-dichlorophenyl)sulfonylamino]-2-methylpentanoic acid?
The InChIKey is OXKDRQLYERFKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO4S/c1-3-6-12(2,11(16)17)15-20(18,19)8-4-5-9(13)10(14)7-8/h4-5,7,15H,3,6H2,1-2H3,(H,16,17).
What are the key properties of 2-[(3,4-dichlorophenyl)sulfonylamino]-2-methylpentanoic acid?
2-[(3,4-dichlorophenyl)sulfonylamino]-2-methylpentanoic acid has a molecular weight of 340.23 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)sulfonylamino]-2-methylpentanoic acid is sourced from PubChem (CID 43619247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).