2,5-dichloro-N-cyclohexylbenzenesulfonamide

C12H15Cl2NO2S — CID 838585

IUPAC2,5-dichloro-N-cyclohexylbenzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H15Cl2NO2S/c13-9-6-7-11(14)12(8-9)18(16,17)15-10-4-2-1-3-5-10/h6-8,10,15H,1-5H2
InChIKeyYHZGWKIBDJJAQG-UHFFFAOYSA-N
MW308.23 g/mol
LogP3.60
Rot. Bonds3

About 2,5-dichloro-N-cyclohexylbenzenesulfonamide

2,5-dichloro-N-cyclohexylbenzenesulfonamide (PubChem CID 838585) has the molecular formula C12H15Cl2NO2S and a molecular weight of 308.23 g/mol. Its IUPAC name is 2,5-dichloro-N-cyclohexylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-cyclohexylbenzenesulfonamide
PubChem CID838585
Molecular FormulaC12H15Cl2NO2S
Molecular Weight308.23 g/mol
Exact Mass307.02
IUPAC Name2,5-dichloro-N-cyclohexylbenzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H15Cl2NO2S/c13-9-6-7-11(14)12(8-9)18(16,17)15-10-4-2-1-3-5-10/h6-8,10,15H,1-5H2
InChIKeyYHZGWKIBDJJAQG-UHFFFAOYSA-N
XLogP3.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.23
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-cyclohexylbenzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-cyclohexylbenzenesulfonamide (CID 838585) is 2,5-dichloro-N-cyclohexylbenzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-cyclohexylbenzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-cyclohexylbenzenesulfonamide is O=S(=O)(NC1CCCCC1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-cyclohexylbenzenesulfonamide?
The InChIKey is YHZGWKIBDJJAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO2S/c13-9-6-7-11(14)12(8-9)18(16,17)15-10-4-2-1-3-5-10/h6-8,10,15H,1-5H2.
What are the key properties of 2,5-dichloro-N-cyclohexylbenzenesulfonamide?
2,5-dichloro-N-cyclohexylbenzenesulfonamide has a molecular weight of 308.23 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-cyclohexylbenzenesulfonamide is sourced from PubChem (CID 838585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).