2,3,5,6-tetramethyl-N-(3,3,5-trimethylcyclohexyl)benzenesulfonamide

C19H31NO2S — CID 19682030

IUPAC2,3,5,6-tetramethyl-N-(3,3,5-trimethylcyclohexyl)benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NC2CC(C)CC(C)(C)C2)c1C
InChIInChI=1S/C19H31NO2S/c1-12-8-17(11-19(6,7)10-12)20-23(21,22)18-15(4)13(2)9-14(3)16(18)5/h9,12,17,20H,8,10-11H2,1-7H3
InChIKeyCOKNAEPMINWRHH-UHFFFAOYSA-N
MW337.53 g/mol
LogP4.41
Rot. Bonds3

About 2,3,5,6-tetramethyl-N-(3,3,5-trimethylcyclohexyl)benzenesulfonamide

2,3,5,6-tetramethyl-N-(3,3,5-trimethylcyclohexyl)benzenesulfonamide (PubChem CID 19682030) has the molecular formula C19H31NO2S and a molecular weight of 337.53 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-N-(3,3,5-trimethylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-N-(3,3,5-trimethylcyclohexyl)benzenesulfonamide
PubChem CID19682030
Molecular FormulaC19H31NO2S
Molecular Weight337.53 g/mol
Exact Mass337.21
IUPAC Name2,3,5,6-tetramethyl-N-(3,3,5-trimethylcyclohexyl)benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NC2CC(C)CC(C)(C)C2)c1C
InChIInChI=1S/C19H31NO2S/c1-12-8-17(11-19(6,7)10-12)20-23(21,22)18-15(4)13(2)9-14(3)16(18)5/h9,12,17,20H,8,10-11H2,1-7H3
InChIKeyCOKNAEPMINWRHH-UHFFFAOYSA-N
XLogP4.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.53
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethyl-N-(3,3,5-trimethylcyclohexyl)benzenesulfonamide?
The IUPAC name of 2,3,5,6-tetramethyl-N-(3,3,5-trimethylcyclohexyl)benzenesulfonamide (CID 19682030) is 2,3,5,6-tetramethyl-N-(3,3,5-trimethylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 2,3,5,6-tetramethyl-N-(3,3,5-trimethylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 2,3,5,6-tetramethyl-N-(3,3,5-trimethylcyclohexyl)benzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)NC2CC(C)CC(C)(C)C2)c1C.
What is the InChIKey of 2,3,5,6-tetramethyl-N-(3,3,5-trimethylcyclohexyl)benzenesulfonamide?
The InChIKey is COKNAEPMINWRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2S/c1-12-8-17(11-19(6,7)10-12)20-23(21,22)18-15(4)13(2)9-14(3)16(18)5/h9,12,17,20H,8,10-11H2,1-7H3.
What are the key properties of 2,3,5,6-tetramethyl-N-(3,3,5-trimethylcyclohexyl)benzenesulfonamide?
2,3,5,6-tetramethyl-N-(3,3,5-trimethylcyclohexyl)benzenesulfonamide has a molecular weight of 337.53 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethyl-N-(3,3,5-trimethylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 19682030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).