4-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxy-3-methylbutanoic acid

C11H13Cl2NO5S — CID 66003945

IUPAC4-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxy-3-methylbutanoic acid
SMILESCC(O)(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)CC(=O)O
InChIInChI=1S/C11H13Cl2NO5S/c1-11(17,5-10(15)16)6-14-20(18,19)7-2-3-8(12)9(13)4-7/h2-4,14,17H,5-6H2,1H3,(H,15,16)
InChIKeyZGSGEOVWDODCGO-UHFFFAOYSA-N
MW342.20 g/mol
LogP1.50
Rot. Bonds6

About 4-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxy-3-methylbutanoic acid

4-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxy-3-methylbutanoic acid (PubChem CID 66003945) has the molecular formula C11H13Cl2NO5S and a molecular weight of 342.20 g/mol. Its IUPAC name is 4-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxy-3-methylbutanoic acid.

Molecular Properties

Compound Name4-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxy-3-methylbutanoic acid
PubChem CID66003945
Molecular FormulaC11H13Cl2NO5S
Molecular Weight342.20 g/mol
Exact Mass340.99
IUPAC Name4-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxy-3-methylbutanoic acid
SMILESCC(O)(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)CC(=O)O
InChIInChI=1S/C11H13Cl2NO5S/c1-11(17,5-10(15)16)6-14-20(18,19)7-2-3-8(12)9(13)4-7/h2-4,14,17H,5-6H2,1H3,(H,15,16)
InChIKeyZGSGEOVWDODCGO-UHFFFAOYSA-N
XLogP1.50
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxy-3-methylbutanoic acid?
The IUPAC name of 4-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxy-3-methylbutanoic acid (CID 66003945) is 4-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxy-3-methylbutanoic acid.
What is the SMILES notation for 4-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxy-3-methylbutanoic acid?
The canonical SMILES for 4-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxy-3-methylbutanoic acid is CC(O)(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)CC(=O)O.
What is the InChIKey of 4-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxy-3-methylbutanoic acid?
The InChIKey is ZGSGEOVWDODCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO5S/c1-11(17,5-10(15)16)6-14-20(18,19)7-2-3-8(12)9(13)4-7/h2-4,14,17H,5-6H2,1H3,(H,15,16).
What are the key properties of 4-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxy-3-methylbutanoic acid?
4-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxy-3-methylbutanoic acid has a molecular weight of 342.20 g/mol, XLogP of 1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxy-3-methylbutanoic acid is sourced from PubChem (CID 66003945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).