3,4-dichloro-N-cyclohexyl-2-methoxybenzenesulfonamide

C13H17Cl2NO3S — CID 935618

IUPAC3,4-dichloro-N-cyclohexyl-2-methoxybenzenesulfonamide
SMILESCOc1c(S(=O)(=O)NC2CCCCC2)ccc(Cl)c1Cl
InChIInChI=1S/C13H17Cl2NO3S/c1-19-13-11(8-7-10(14)12(13)15)20(17,18)16-9-5-3-2-4-6-9/h7-9,16H,2-6H2,1H3
InChIKeyJHSXYSVJAXBWOJ-UHFFFAOYSA-N
MW338.26 g/mol
LogP3.61
Rot. Bonds4

About 3,4-dichloro-N-cyclohexyl-2-methoxybenzenesulfonamide

3,4-dichloro-N-cyclohexyl-2-methoxybenzenesulfonamide (PubChem CID 935618) has the molecular formula C13H17Cl2NO3S and a molecular weight of 338.26 g/mol. Its IUPAC name is 3,4-dichloro-N-cyclohexyl-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-cyclohexyl-2-methoxybenzenesulfonamide
PubChem CID935618
Molecular FormulaC13H17Cl2NO3S
Molecular Weight338.26 g/mol
Exact Mass337.03
IUPAC Name3,4-dichloro-N-cyclohexyl-2-methoxybenzenesulfonamide
SMILESCOc1c(S(=O)(=O)NC2CCCCC2)ccc(Cl)c1Cl
InChIInChI=1S/C13H17Cl2NO3S/c1-19-13-11(8-7-10(14)12(13)15)20(17,18)16-9-5-3-2-4-6-9/h7-9,16H,2-6H2,1H3
InChIKeyJHSXYSVJAXBWOJ-UHFFFAOYSA-N
XLogP3.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.26
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-cyclohexyl-2-methoxybenzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-cyclohexyl-2-methoxybenzenesulfonamide (CID 935618) is 3,4-dichloro-N-cyclohexyl-2-methoxybenzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-cyclohexyl-2-methoxybenzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-cyclohexyl-2-methoxybenzenesulfonamide is COc1c(S(=O)(=O)NC2CCCCC2)ccc(Cl)c1Cl.
What is the InChIKey of 3,4-dichloro-N-cyclohexyl-2-methoxybenzenesulfonamide?
The InChIKey is JHSXYSVJAXBWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO3S/c1-19-13-11(8-7-10(14)12(13)15)20(17,18)16-9-5-3-2-4-6-9/h7-9,16H,2-6H2,1H3.
What are the key properties of 3,4-dichloro-N-cyclohexyl-2-methoxybenzenesulfonamide?
3,4-dichloro-N-cyclohexyl-2-methoxybenzenesulfonamide has a molecular weight of 338.26 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-cyclohexyl-2-methoxybenzenesulfonamide is sourced from PubChem (CID 935618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).