3-[(3,5-dichlorophenyl)sulfonylamino]-3-methylbutanoic acid

C11H13Cl2NO4S — CID 64699972

IUPAC3-[(3,5-dichlorophenyl)sulfonylamino]-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)NS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H13Cl2NO4S/c1-11(2,6-10(15)16)14-19(17,18)9-4-7(12)3-8(13)5-9/h3-5,14H,6H2,1-2H3,(H,15,16)
InChIKeyAAKQGYIWJIEMBA-UHFFFAOYSA-N
MW326.20 g/mol
LogP2.53
Rot. Bonds5

About 3-[(3,5-dichlorophenyl)sulfonylamino]-3-methylbutanoic acid

3-[(3,5-dichlorophenyl)sulfonylamino]-3-methylbutanoic acid (PubChem CID 64699972) has the molecular formula C11H13Cl2NO4S and a molecular weight of 326.20 g/mol. Its IUPAC name is 3-[(3,5-dichlorophenyl)sulfonylamino]-3-methylbutanoic acid.

Molecular Properties

Compound Name3-[(3,5-dichlorophenyl)sulfonylamino]-3-methylbutanoic acid
PubChem CID64699972
Molecular FormulaC11H13Cl2NO4S
Molecular Weight326.20 g/mol
Exact Mass324.99
IUPAC Name3-[(3,5-dichlorophenyl)sulfonylamino]-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)NS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H13Cl2NO4S/c1-11(2,6-10(15)16)14-19(17,18)9-4-7(12)3-8(13)5-9/h3-5,14H,6H2,1-2H3,(H,15,16)
InChIKeyAAKQGYIWJIEMBA-UHFFFAOYSA-N
XLogP2.53
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(3,5-dichlorophenyl)sulfonylamino]-3-methylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dichlorophenyl)sulfonylamino]-3-methylbutanoic acid?
The IUPAC name of 3-[(3,5-dichlorophenyl)sulfonylamino]-3-methylbutanoic acid (CID 64699972) is 3-[(3,5-dichlorophenyl)sulfonylamino]-3-methylbutanoic acid.
What is the SMILES notation for 3-[(3,5-dichlorophenyl)sulfonylamino]-3-methylbutanoic acid?
The canonical SMILES for 3-[(3,5-dichlorophenyl)sulfonylamino]-3-methylbutanoic acid is CC(C)(CC(=O)O)NS(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-[(3,5-dichlorophenyl)sulfonylamino]-3-methylbutanoic acid?
The InChIKey is AAKQGYIWJIEMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO4S/c1-11(2,6-10(15)16)14-19(17,18)9-4-7(12)3-8(13)5-9/h3-5,14H,6H2,1-2H3,(H,15,16).
What are the key properties of 3-[(3,5-dichlorophenyl)sulfonylamino]-3-methylbutanoic acid?
3-[(3,5-dichlorophenyl)sulfonylamino]-3-methylbutanoic acid has a molecular weight of 326.20 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dichlorophenyl)sulfonylamino]-3-methylbutanoic acid is sourced from PubChem (CID 64699972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).