2-cyclopropyl-2-[(2,4,6-trichlorophenyl)sulfonylamino]propanoic acid

C12H12Cl3NO4S — CID 43361631

IUPAC2-cyclopropyl-2-[(2,4,6-trichlorophenyl)sulfonylamino]propanoic acid
SMILESCC(NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)(C(=O)O)C1CC1
InChIInChI=1S/C12H12Cl3NO4S/c1-12(11(17)18,6-2-3-6)16-21(19,20)10-8(14)4-7(13)5-9(10)15/h4-6,16H,2-3H2,1H3,(H,17,18)
InChIKeyDVZZIJPGUOZMTB-UHFFFAOYSA-N
MW372.66 g/mol
LogP3.18
Rot. Bonds5

About 2-cyclopropyl-2-[(2,4,6-trichlorophenyl)sulfonylamino]propanoic acid

2-cyclopropyl-2-[(2,4,6-trichlorophenyl)sulfonylamino]propanoic acid (PubChem CID 43361631) has the molecular formula C12H12Cl3NO4S and a molecular weight of 372.66 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(2,4,6-trichlorophenyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(2,4,6-trichlorophenyl)sulfonylamino]propanoic acid
PubChem CID43361631
Molecular FormulaC12H12Cl3NO4S
Molecular Weight372.66 g/mol
Exact Mass370.96
IUPAC Name2-cyclopropyl-2-[(2,4,6-trichlorophenyl)sulfonylamino]propanoic acid
SMILESCC(NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)(C(=O)O)C1CC1
InChIInChI=1S/C12H12Cl3NO4S/c1-12(11(17)18,6-2-3-6)16-21(19,20)10-8(14)4-7(13)5-9(10)15/h4-6,16H,2-3H2,1H3,(H,17,18)
InChIKeyDVZZIJPGUOZMTB-UHFFFAOYSA-N
XLogP3.18
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.66
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-{[(4-Chlorophenyl)sulfonyl]amino}-4-methylpentanoic acid
CID 573851
(2S)-1-[(4-chlorophenyl)sulfonylamino]-2-(fluoromethyl)cyclopropane-1-carboxylic acid
CID 154539210
2-[(4-Chlorophenyl)sulfonylamino]-2-ethyl-4-fluoro-4-methylpentanoic acid
CID 161450395
1-((2,6-Dichlorophenyl)sulfonamido)cyclohexane-1-carboxylic acid
CID 43237717
2-[(3-Chloro-4-fluorophenyl)sulfonylamino]-2-cyclopropylpropanoic acid
CID 43172952
2-[(3-Chloro-2-fluorophenyl)sulfonylamino]-2-cyclopropylpropanoic acid
CID 43361629
2-[(2-Chloro-4-fluorophenyl)sulfonylamino]-2-cyclopropylpropanoic acid
CID 43361652
2-[(4-Chloro-2-fluorophenyl)sulfonylamino]-2-cyclopropylpropanoic acid
CID 43361658
2-[(2-Chloro-4-fluorophenyl)sulfonylamino]-2-methylpentanoic acid
CID 43619223
2-[(4-Chloro-2-fluorophenyl)sulfonylamino]-2-methylpentanoic acid
CID 43619281
2-[(2,4-Dichloro-3-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 103087434
2-[(2,4-Dichloro-3-fluorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 103087449

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(2,4,6-trichlorophenyl)sulfonylamino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[(2,4,6-trichlorophenyl)sulfonylamino]propanoic acid (CID 43361631) is 2-cyclopropyl-2-[(2,4,6-trichlorophenyl)sulfonylamino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(2,4,6-trichlorophenyl)sulfonylamino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[(2,4,6-trichlorophenyl)sulfonylamino]propanoic acid is CC(NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(2,4,6-trichlorophenyl)sulfonylamino]propanoic acid?
The InChIKey is DVZZIJPGUOZMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl3NO4S/c1-12(11(17)18,6-2-3-6)16-21(19,20)10-8(14)4-7(13)5-9(10)15/h4-6,16H,2-3H2,1H3,(H,17,18).
What are the key properties of 2-cyclopropyl-2-[(2,4,6-trichlorophenyl)sulfonylamino]propanoic acid?
2-cyclopropyl-2-[(2,4,6-trichlorophenyl)sulfonylamino]propanoic acid has a molecular weight of 372.66 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(2,4,6-trichlorophenyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 43361631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).