3-[(3,5-dichlorophenyl)sulfonylamino]-2,2-dimethylpropanoic acid

C11H13Cl2NO4S — CID 115427533

IUPAC3-[(3,5-dichlorophenyl)sulfonylamino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNS(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)O
InChIInChI=1S/C11H13Cl2NO4S/c1-11(2,10(15)16)6-14-19(17,18)9-4-7(12)3-8(13)5-9/h3-5,14H,6H2,1-2H3,(H,15,16)
InChIKeyQYGVGTIYFDUUSW-UHFFFAOYSA-N
MW326.20 g/mol
LogP2.38
Rot. Bonds5

About 3-[(3,5-dichlorophenyl)sulfonylamino]-2,2-dimethylpropanoic acid

3-[(3,5-dichlorophenyl)sulfonylamino]-2,2-dimethylpropanoic acid (PubChem CID 115427533) has the molecular formula C11H13Cl2NO4S and a molecular weight of 326.20 g/mol. Its IUPAC name is 3-[(3,5-dichlorophenyl)sulfonylamino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[(3,5-dichlorophenyl)sulfonylamino]-2,2-dimethylpropanoic acid
PubChem CID115427533
Molecular FormulaC11H13Cl2NO4S
Molecular Weight326.20 g/mol
Exact Mass324.99
IUPAC Name3-[(3,5-dichlorophenyl)sulfonylamino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNS(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)O
InChIInChI=1S/C11H13Cl2NO4S/c1-11(2,10(15)16)6-14-19(17,18)9-4-7(12)3-8(13)5-9/h3-5,14H,6H2,1-2H3,(H,15,16)
InChIKeyQYGVGTIYFDUUSW-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,5-dichlorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 64699972
2-[(3,5-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid
CID 79792778
3,5-dichloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzenesulfonamide
CID 103844855
3,5-dichloro-N-[2-(chloromethyl)-2-ethylbutyl]benzenesulfonamide
CID 106256201
methyl 2-[(3,5-dichlorophenyl)sulfonylamino]acetate
CID 43404992
3-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-2,2-dimethylpropanoic acid
CID 115427428
3-[(2,4-dimethylphenyl)sulfonylamino]-2,2-dimethylpropanoic acid
CID 115427434
N-(1-amino-2-methylpropan-2-yl)-3,5-dichlorobenzenesulfonamide
CID 63194668
methyl 3-[(3,5-dichlorophenyl)sulfonylamino]propanoate
CID 3874327
5-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid
CID 62033065
3,5-dichloro-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide
CID 25042571
3-[(6-cyano-3-pyridinyl)sulfonylamino]-2,2-dimethylpropanoic acid
CID 114533438

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dichlorophenyl)sulfonylamino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[(3,5-dichlorophenyl)sulfonylamino]-2,2-dimethylpropanoic acid (CID 115427533) is 3-[(3,5-dichlorophenyl)sulfonylamino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[(3,5-dichlorophenyl)sulfonylamino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[(3,5-dichlorophenyl)sulfonylamino]-2,2-dimethylpropanoic acid is CC(C)(CNS(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)O.
What is the InChIKey of 3-[(3,5-dichlorophenyl)sulfonylamino]-2,2-dimethylpropanoic acid?
The InChIKey is QYGVGTIYFDUUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO4S/c1-11(2,10(15)16)6-14-19(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]-2,2-dimethylpropanoic acid?
3-[(3,5-dichlorophenyl)sulfonylamino]-2,2-dimethylpropanoic acid has a molecular weight of 326.20 g/mol, XLogP of 2.38, 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]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 115427533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).