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

Related Compounds

N-(1-amino-2-methylpropan-2-yl)-3,5-dichlorobenzenesulfonamide
CID 63194668
2-[(3,5-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid
CID 79792778
3-[(5-chloro-2-methylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 64700558
3-[(3,5-dichlorophenyl)sulfonylamino]-2,2-dimethylpropanoic acid
CID 115427533
3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylbutanoic acid
CID 64701142
3-methyl-3-[(3-sulfamoylphenyl)sulfonylamino]butanoic acid
CID 64670981
3-methyl-3-[(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid
CID 64671378
3-[(2-chloro-5-methoxyphenyl)sulfonylamino]-3-methylbutanoic acid
CID 138044228
3,5-dichloro-N-[5-(2,2-dimethylpropoxy)-2-methylpentan-2-yl]benzenesulfonamide
CID 146352834
3-(benzenesulfonamido)-3-methylbutanamide
CID 104600859
4-[(3-bromo-4-chlorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 106605335
5-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid
CID 62033065

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).