N-(1-cyanocyclohexyl)-2,3,5,6-tetramethylbenzenesulfonamide

C17H24N2O2S — CID 4788330

IUPACN-(1-cyanocyclohexyl)-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NC2(C#N)CCCCC2)c1C
InChIInChI=1S/C17H24N2O2S/c1-12-10-13(2)15(4)16(14(12)3)22(20,21)19-17(11-18)8-6-5-7-9-17/h10,19H,5-9H2,1-4H3
InChIKeyMXLSCJRGGOIPKR-UHFFFAOYSA-N
MW320.46 g/mol
LogP3.43
Rot. Bonds3

About N-(1-cyanocyclohexyl)-2,3,5,6-tetramethylbenzenesulfonamide

N-(1-cyanocyclohexyl)-2,3,5,6-tetramethylbenzenesulfonamide (PubChem CID 4788330) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2,3,5,6-tetramethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2,3,5,6-tetramethylbenzenesulfonamide
PubChem CID4788330
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC NameN-(1-cyanocyclohexyl)-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NC2(C#N)CCCCC2)c1C
InChIInChI=1S/C17H24N2O2S/c1-12-10-13(2)15(4)16(14(12)3)22(20,21)19-17(11-18)8-6-5-7-9-17/h10,19H,5-9H2,1-4H3
InChIKeyMXLSCJRGGOIPKR-UHFFFAOYSA-N
XLogP3.43
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2,3,5,6-tetramethylbenzenesulfonamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2,3,5,6-tetramethylbenzenesulfonamide (CID 4788330) is N-(1-cyanocyclohexyl)-2,3,5,6-tetramethylbenzenesulfonamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2,3,5,6-tetramethylbenzenesulfonamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2,3,5,6-tetramethylbenzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)NC2(C#N)CCCCC2)c1C.
What is the InChIKey of N-(1-cyanocyclohexyl)-2,3,5,6-tetramethylbenzenesulfonamide?
The InChIKey is MXLSCJRGGOIPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-12-10-13(2)15(4)16(14(12)3)22(20,21)19-17(11-18)8-6-5-7-9-17/h10,19H,5-9H2,1-4H3.
What are the key properties of N-(1-cyanocyclohexyl)-2,3,5,6-tetramethylbenzenesulfonamide?
N-(1-cyanocyclohexyl)-2,3,5,6-tetramethylbenzenesulfonamide has a molecular weight of 320.46 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2,3,5,6-tetramethylbenzenesulfonamide is sourced from PubChem (CID 4788330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).