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

C11H13Cl2NO4S — CID 80540414

IUPAC4-[(2,6-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid
SMILESCC(CCNS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)O
InChIInChI=1S/C11H13Cl2NO4S/c1-7(11(15)16)5-6-14-19(17,18)10-8(12)3-2-4-9(10)13/h2-4,7,14H,5-6H2,1H3,(H,15,16)
InChIKeyLGYDLHXJDFDTAK-UHFFFAOYSA-N
MW326.20 g/mol
LogP2.38
Rot. Bonds6

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

4-[(2,6-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid (PubChem CID 80540414) has the molecular formula C11H13Cl2NO4S and a molecular weight of 326.20 g/mol. Its IUPAC name is 4-[(2,6-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid.

Molecular Properties

Compound Name4-[(2,6-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid
PubChem CID80540414
Molecular FormulaC11H13Cl2NO4S
Molecular Weight326.20 g/mol
Exact Mass324.99
IUPAC Name4-[(2,6-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid
SMILESCC(CCNS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)O
InChIInChI=1S/C11H13Cl2NO4S/c1-7(11(15)16)5-6-14-19(17,18)10-8(12)3-2-4-9(10)13/h2-4,7,14H,5-6H2,1H3,(H,15,16)
InChIKeyLGYDLHXJDFDTAK-UHFFFAOYSA-N
XLogP2.38
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540502
3-[(2,6-dichlorophenyl)sulfonylamino]propanoic acid
CID 697936
4-[(4-iodophenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540438
N-(3-aminobutyl)-3-[(2,6-dichlorophenyl)sulfonylamino]propanamide
CID 119498614
4-[(2-fluorophenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540391
2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43606022
2,6-dichloro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide
CID 115754918
4-[(4-ethylphenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540255
2-methyl-4-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 80537599
2-methyl-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 80537664
4-[(3-cyanophenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540461
2-[(2,6-dichlorophenyl)sulfonylamino]ethyl-dimethylazanium
CID 2128469

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid?
The IUPAC name of 4-[(2,6-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid (CID 80540414) is 4-[(2,6-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid.
What is the SMILES notation for 4-[(2,6-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid?
The canonical SMILES for 4-[(2,6-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid is CC(CCNS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)O.
What is the InChIKey of 4-[(2,6-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid?
The InChIKey is LGYDLHXJDFDTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO4S/c1-7(11(15)16)5-6-14-19(17,18)10-8(12)3-2-4-9(10)13/h2-4,7,14H,5-6H2,1H3,(H,15,16).
What are the key properties of 4-[(2,6-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid?
4-[(2,6-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid has a molecular weight of 326.20 g/mol, XLogP of 2.38, 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]-2-methylbutanoic acid is sourced from PubChem (CID 80540414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).