N-cyclohexyl-2,3,5,6-tetramethylbenzenesulfonamide

C16H25NO2S — CID 2979217

IUPACN-cyclohexyl-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NC2CCCCC2)c1C
InChIInChI=1S/C16H25NO2S/c1-11-10-12(2)14(4)16(13(11)3)20(18,19)17-15-8-6-5-7-9-15/h10,15,17H,5-9H2,1-4H3
InChIKeyQGELOHPUTIAKLJ-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.53
Rot. Bonds3

About N-cyclohexyl-2,3,5,6-tetramethylbenzenesulfonamide

N-cyclohexyl-2,3,5,6-tetramethylbenzenesulfonamide (PubChem CID 2979217) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is N-cyclohexyl-2,3,5,6-tetramethylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-2,3,5,6-tetramethylbenzenesulfonamide
PubChem CID2979217
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC NameN-cyclohexyl-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NC2CCCCC2)c1C
InChIInChI=1S/C16H25NO2S/c1-11-10-12(2)14(4)16(13(11)3)20(18,19)17-15-8-6-5-7-9-15/h10,15,17H,5-9H2,1-4H3
InChIKeyQGELOHPUTIAKLJ-UHFFFAOYSA-N
XLogP3.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,3,5,6-tetramethylbenzenesulfonamide?
The IUPAC name of N-cyclohexyl-2,3,5,6-tetramethylbenzenesulfonamide (CID 2979217) is N-cyclohexyl-2,3,5,6-tetramethylbenzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-2,3,5,6-tetramethylbenzenesulfonamide?
The canonical SMILES for N-cyclohexyl-2,3,5,6-tetramethylbenzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)NC2CCCCC2)c1C.
What is the InChIKey of N-cyclohexyl-2,3,5,6-tetramethylbenzenesulfonamide?
The InChIKey is QGELOHPUTIAKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-11-10-12(2)14(4)16(13(11)3)20(18,19)17-15-8-6-5-7-9-15/h10,15,17H,5-9H2,1-4H3.
What are the key properties of N-cyclohexyl-2,3,5,6-tetramethylbenzenesulfonamide?
N-cyclohexyl-2,3,5,6-tetramethylbenzenesulfonamide has a molecular weight of 295.45 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,3,5,6-tetramethylbenzenesulfonamide is sourced from PubChem (CID 2979217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).