3-[(3,5-dichlorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid

C13H15Cl2NO4S — CID 63043849

IUPAC3-[(3,5-dichlorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C13H15Cl2NO4S/c14-9-5-10(15)7-12(6-9)21(19,20)16-11-3-1-2-8(4-11)13(17)18/h5-8,11,16H,1-4H2,(H,17,18)
InChIKeyZDZWGESUJUHSSR-UHFFFAOYSA-N
MW352.24 g/mol
LogP2.92
Rot. Bonds4

About 3-[(3,5-dichlorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid

3-[(3,5-dichlorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid (PubChem CID 63043849) has the molecular formula C13H15Cl2NO4S and a molecular weight of 352.24 g/mol. Its IUPAC name is 3-[(3,5-dichlorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(3,5-dichlorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
PubChem CID63043849
Molecular FormulaC13H15Cl2NO4S
Molecular Weight352.24 g/mol
Exact Mass351.01
IUPAC Name3-[(3,5-dichlorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C13H15Cl2NO4S/c14-9-5-10(15)7-12(6-9)21(19,20)16-11-3-1-2-8(4-11)13(17)18/h5-8,11,16H,1-4H2,(H,17,18)
InChIKeyZDZWGESUJUHSSR-UHFFFAOYSA-N
XLogP2.92
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.24
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dichlorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(3,5-dichlorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid (CID 63043849) is 3-[(3,5-dichlorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(3,5-dichlorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(3,5-dichlorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid is O=C(O)C1CCCC(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of 3-[(3,5-dichlorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid?
The InChIKey is ZDZWGESUJUHSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO4S/c14-9-5-10(15)7-12(6-9)21(19,20)16-11-3-1-2-8(4-11)13(17)18/h5-8,11,16H,1-4H2,(H,17,18).
What are the key properties of 3-[(3,5-dichlorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid?
3-[(3,5-dichlorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid has a molecular weight of 352.24 g/mol, XLogP of 2.92, 4 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]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63043849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).