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

C12H15Cl2NO4S — CID 62044183

IUPAC4-[(2,6-dichlorophenyl)sulfonylamino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NS(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H15Cl2NO4S/c1-12(2,7-6-10(16)17)15-20(18,19)11-8(13)4-3-5-9(11)14/h3-5,15H,6-7H2,1-2H3,(H,16,17)
InChIKeyUKERGRSODAVZFQ-UHFFFAOYSA-N
MW340.23 g/mol
LogP2.92
Rot. Bonds6

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

4-[(2,6-dichlorophenyl)sulfonylamino]-4-methylpentanoic acid (PubChem CID 62044183) has the molecular formula C12H15Cl2NO4S and a molecular weight of 340.23 g/mol. Its IUPAC name is 4-[(2,6-dichlorophenyl)sulfonylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[(2,6-dichlorophenyl)sulfonylamino]-4-methylpentanoic acid
PubChem CID62044183
Molecular FormulaC12H15Cl2NO4S
Molecular Weight340.23 g/mol
Exact Mass339.01
IUPAC Name4-[(2,6-dichlorophenyl)sulfonylamino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NS(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H15Cl2NO4S/c1-12(2,7-6-10(16)17)15-20(18,19)11-8(13)4-3-5-9(11)14/h3-5,15H,6-7H2,1-2H3,(H,16,17)
InChIKeyUKERGRSODAVZFQ-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-[(2,6-dichlorophenyl)sulfonylamino]propanoic acid
CID 697936
4-[(2-chloro-5-methylphenyl)sulfonylamino]-4-methylpentanoic acid
CID 122068940
N-tert-butyl-2,6-dichlorobenzenesulfonamide
CID 3331531
4-[(3-bromo-4-chlorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 106605335
4-[[4-(dimethylamino)phenyl]sulfonylamino]-4-methylpentanoic acid
CID 122068851
4-(furan-3-ylsulfonylamino)-4-methylpentanoic acid
CID 122068780
4-[3-[(2,6-dichlorophenyl)sulfonylamino]propanoylamino]butanoic acid
CID 119352507
2,6-dichloro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65113165
(2R)-2-[(2,6-dichlorophenyl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 103927101
2-[3-[(2,6-dichlorophenyl)sulfonylamino]propanoyl-methylamino]acetic acid
CID 119346190
4-[(2-bromo-5-methylphenyl)sulfonylamino]-4-methylpentanoic acid
CID 122068939
N-(1-amino-2-methylpropan-2-yl)-2-chloro-6-(trifluoromethyl)benzenesulfonamide
CID 119975438

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dichlorophenyl)sulfonylamino]-4-methylpentanoic acid?
The IUPAC name of 4-[(2,6-dichlorophenyl)sulfonylamino]-4-methylpentanoic acid (CID 62044183) is 4-[(2,6-dichlorophenyl)sulfonylamino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[(2,6-dichlorophenyl)sulfonylamino]-4-methylpentanoic acid?
The canonical SMILES for 4-[(2,6-dichlorophenyl)sulfonylamino]-4-methylpentanoic acid is CC(C)(CCC(=O)O)NS(=O)(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 4-[(2,6-dichlorophenyl)sulfonylamino]-4-methylpentanoic acid?
The InChIKey is UKERGRSODAVZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO4S/c1-12(2,7-6-10(16)17)15-20(18,19)11-8(13)4-3-5-9(11)14/h3-5,15H,6-7H2,1-2H3,(H,16,17).
What are the key properties of 4-[(2,6-dichlorophenyl)sulfonylamino]-4-methylpentanoic acid?
4-[(2,6-dichlorophenyl)sulfonylamino]-4-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 4-[(2,6-dichlorophenyl)sulfonylamino]-4-methylpentanoic acid is sourced from PubChem (CID 62044183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).