N-cyclohexyl-4-methylsulfanylbenzenesulfonamide

C13H19NO2S2 — CID 803800

IUPACN-cyclohexyl-4-methylsulfanylbenzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)NC2CCCCC2)cc1
InChIInChI=1S/C13H19NO2S2/c1-17-12-7-9-13(10-8-12)18(15,16)14-11-5-3-2-4-6-11/h7-11,14H,2-6H2,1H3
InChIKeyJOFUTZDYSFRUFM-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.02
Rot. Bonds4

About N-cyclohexyl-4-methylsulfanylbenzenesulfonamide

N-cyclohexyl-4-methylsulfanylbenzenesulfonamide (PubChem CID 803800) has the molecular formula C13H19NO2S2 and a molecular weight of 285.43 g/mol. Its IUPAC name is N-cyclohexyl-4-methylsulfanylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-4-methylsulfanylbenzenesulfonamide
PubChem CID803800
Molecular FormulaC13H19NO2S2
Molecular Weight285.43 g/mol
Exact Mass285.09
IUPAC NameN-cyclohexyl-4-methylsulfanylbenzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)NC2CCCCC2)cc1
InChIInChI=1S/C13H19NO2S2/c1-17-12-7-9-13(10-8-12)18(15,16)14-11-5-3-2-4-6-11/h7-11,14H,2-6H2,1H3
InChIKeyJOFUTZDYSFRUFM-UHFFFAOYSA-N
XLogP3.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-methylsulfanylbenzenesulfonamide?
The IUPAC name of N-cyclohexyl-4-methylsulfanylbenzenesulfonamide (CID 803800) is N-cyclohexyl-4-methylsulfanylbenzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-4-methylsulfanylbenzenesulfonamide?
The canonical SMILES for N-cyclohexyl-4-methylsulfanylbenzenesulfonamide is CSc1ccc(S(=O)(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-4-methylsulfanylbenzenesulfonamide?
The InChIKey is JOFUTZDYSFRUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S2/c1-17-12-7-9-13(10-8-12)18(15,16)14-11-5-3-2-4-6-11/h7-11,14H,2-6H2,1H3.
What are the key properties of N-cyclohexyl-4-methylsulfanylbenzenesulfonamide?
N-cyclohexyl-4-methylsulfanylbenzenesulfonamide has a molecular weight of 285.43 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-methylsulfanylbenzenesulfonamide is sourced from PubChem (CID 803800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).