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

C11H13Cl2NO4S — CID 79792778

IUPAC2-[(3,5-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid
SMILESCCC(C)(NS(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)O
InChIInChI=1S/C11H13Cl2NO4S/c1-3-11(2,10(15)16)14-19(17,18)9-5-7(12)4-8(13)6-9/h4-6,14H,3H2,1-2H3,(H,15,16)
InChIKeySCGOLDSMEVXBMA-UHFFFAOYSA-N
MW326.20 g/mol
LogP2.53
Rot. Bonds5

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

2-[(3,5-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid (PubChem CID 79792778) has the molecular formula C11H13Cl2NO4S and a molecular weight of 326.20 g/mol. Its IUPAC name is 2-[(3,5-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[(3,5-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid
PubChem CID79792778
Molecular FormulaC11H13Cl2NO4S
Molecular Weight326.20 g/mol
Exact Mass324.99
IUPAC Name2-[(3,5-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid
SMILESCCC(C)(NS(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)O
InChIInChI=1S/C11H13Cl2NO4S/c1-3-11(2,10(15)16)14-19(17,18)9-5-7(12)4-8(13)6-9/h4-6,14H,3H2,1-2H3,(H,15,16)
InChIKeySCGOLDSMEVXBMA-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

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Related Compounds

3-[(3,5-dichlorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 64699972
2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid
CID 79793309
2-[(2-chloro-4-methylphenyl)sulfonylamino]-2-methylbutanoic acid
CID 79793090
3-[(3,5-dichlorophenyl)sulfonylamino]-2,2-dimethylpropanoic acid
CID 115427533
2-[(4-butan-2-ylphenyl)sulfonylamino]-2-methylbutanoic acid
CID 79790236
2-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid
CID 79792160
N-(1-amino-2-methylpropan-2-yl)-3,5-dichlorobenzenesulfonamide
CID 63194668
2-[(3,4-dichlorophenyl)sulfonylamino]-2-methylpentanoic acid
CID 43619247
2-[(6-cyano-3-pyridinyl)sulfonylamino]-2-methylbutanoic acid
CID 114612954
2-[[2-(4-chlorophenyl)sulfonylacetyl]amino]-2-methylbutanoic acid
CID 119199618
3,5-dichloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzenesulfonamide
CID 103844855
4-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 841727

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid?
The IUPAC name of 2-[(3,5-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid (CID 79792778) is 2-[(3,5-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[(3,5-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid?
The canonical SMILES for 2-[(3,5-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid is CCC(C)(NS(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)O.
What is the InChIKey of 2-[(3,5-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid?
The InChIKey is SCGOLDSMEVXBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO4S/c1-3-11(2,10(15)16)14-19(17,18)9-5-7(12)4-8(13)6-9/h4-6,14H,3H2,1-2H3,(H,15,16).
What are the key properties of 2-[(3,5-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid?
2-[(3,5-dichlorophenyl)sulfonylamino]-2-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 2-[(3,5-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid is sourced from PubChem (CID 79792778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).