2-cyano-N-(2-methylsulfanylcyclohexyl)benzenesulfonamide

C14H18N2O2S2 — CID 103835706

IUPAC2-cyano-N-(2-methylsulfanylcyclohexyl)benzenesulfonamide
SMILESCSC1CCCCC1NS(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C14H18N2O2S2/c1-19-13-8-4-3-7-12(13)16-20(17,18)14-9-5-2-6-11(14)10-15/h2,5-6,9,12-13,16H,3-4,7-8H2,1H3
InChIKeyNSDBCUWUAQDDIA-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.51
Rot. Bonds4

About 2-cyano-N-(2-methylsulfanylcyclohexyl)benzenesulfonamide

2-cyano-N-(2-methylsulfanylcyclohexyl)benzenesulfonamide (PubChem CID 103835706) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-cyano-N-(2-methylsulfanylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-(2-methylsulfanylcyclohexyl)benzenesulfonamide
PubChem CID103835706
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC Name2-cyano-N-(2-methylsulfanylcyclohexyl)benzenesulfonamide
SMILESCSC1CCCCC1NS(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C14H18N2O2S2/c1-19-13-8-4-3-7-12(13)16-20(17,18)14-9-5-2-6-11(14)10-15/h2,5-6,9,12-13,16H,3-4,7-8H2,1H3
InChIKeyNSDBCUWUAQDDIA-UHFFFAOYSA-N
XLogP2.51
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-methylsulfanylcyclohexyl)benzenesulfonamide?
The IUPAC name of 2-cyano-N-(2-methylsulfanylcyclohexyl)benzenesulfonamide (CID 103835706) is 2-cyano-N-(2-methylsulfanylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-(2-methylsulfanylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 2-cyano-N-(2-methylsulfanylcyclohexyl)benzenesulfonamide is CSC1CCCCC1NS(=O)(=O)c1ccccc1C#N.
What is the InChIKey of 2-cyano-N-(2-methylsulfanylcyclohexyl)benzenesulfonamide?
The InChIKey is NSDBCUWUAQDDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-19-13-8-4-3-7-12(13)16-20(17,18)14-9-5-2-6-11(14)10-15/h2,5-6,9,12-13,16H,3-4,7-8H2,1H3.
What are the key properties of 2-cyano-N-(2-methylsulfanylcyclohexyl)benzenesulfonamide?
2-cyano-N-(2-methylsulfanylcyclohexyl)benzenesulfonamide has a molecular weight of 310.44 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-methylsulfanylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 103835706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).