N,2,5-trimethyl-N-(4-oxocyclohexyl)benzenesulfonamide

C15H21NO3S — CID 79120226

IUPACN,2,5-trimethyl-N-(4-oxocyclohexyl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N(C)C2CCC(=O)CC2)c1
InChIInChI=1S/C15H21NO3S/c1-11-4-5-12(2)15(10-11)20(18,19)16(3)13-6-8-14(17)9-7-13/h4-5,10,13H,6-9H2,1-3H3
InChIKeyUDEFNQJQHXQBLD-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.44
Rot. Bonds3

About N,2,5-trimethyl-N-(4-oxocyclohexyl)benzenesulfonamide

N,2,5-trimethyl-N-(4-oxocyclohexyl)benzenesulfonamide (PubChem CID 79120226) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is N,2,5-trimethyl-N-(4-oxocyclohexyl)benzenesulfonamide.

Molecular Properties

Compound NameN,2,5-trimethyl-N-(4-oxocyclohexyl)benzenesulfonamide
PubChem CID79120226
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC NameN,2,5-trimethyl-N-(4-oxocyclohexyl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N(C)C2CCC(=O)CC2)c1
InChIInChI=1S/C15H21NO3S/c1-11-4-5-12(2)15(10-11)20(18,19)16(3)13-6-8-14(17)9-7-13/h4-5,10,13H,6-9H2,1-3H3
InChIKeyUDEFNQJQHXQBLD-UHFFFAOYSA-N
XLogP2.44
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,2,5-trimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79116752
N-(8-azabicyclo[3.2.1]octan-3-yl)-N,2,5-trimethylbenzenesulfonamide
CID 61231449
N-[(1S,2R)-2-hydroxycyclohexyl]-N,2,5-trimethylbenzenesulfonamide
CID 100581918
N-[(1R,2S)-2-hydroxycyclohexyl]-N,2,5-trimethylbenzenesulfonamide
CID 95706281
N-[(1S,2S)-2-hydroxycyclohexyl]-N,2,5-trimethylbenzenesulfonamide
CID 95706282
N-(2-bromocyclohexyl)-N,2,5-trimethylbenzenesulfonamide
CID 102638654
N-(2-aminocyclohexyl)-N,2,5-trimethylbenzenesulfonamide
CID 102639287
4-(2,4-dimethylphenyl)sulfonylcyclohexan-1-one
CID 117037250
N,2-dimethyl-N-(4-oxocyclohexyl)propane-2-sulfonamide
CID 79120310
N-(4-aminocyclohexyl)-N-ethyl-2,5-dimethylbenzenesulfonamide
CID 79113665
2-amino-N-cyclopentyl-N,4-dimethylbenzenesulfonamide
CID 43266857
2-tert-butyl-N-cyclohexyl-N,4-dimethylbenzenesulfonamide
CID 90164879

Frequently Asked Questions

What is the IUPAC name of N,2,5-trimethyl-N-(4-oxocyclohexyl)benzenesulfonamide?
The IUPAC name of N,2,5-trimethyl-N-(4-oxocyclohexyl)benzenesulfonamide (CID 79120226) is N,2,5-trimethyl-N-(4-oxocyclohexyl)benzenesulfonamide.
What is the SMILES notation for N,2,5-trimethyl-N-(4-oxocyclohexyl)benzenesulfonamide?
The canonical SMILES for N,2,5-trimethyl-N-(4-oxocyclohexyl)benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)N(C)C2CCC(=O)CC2)c1.
What is the InChIKey of N,2,5-trimethyl-N-(4-oxocyclohexyl)benzenesulfonamide?
The InChIKey is UDEFNQJQHXQBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-11-4-5-12(2)15(10-11)20(18,19)16(3)13-6-8-14(17)9-7-13/h4-5,10,13H,6-9H2,1-3H3.
What are the key properties of N,2,5-trimethyl-N-(4-oxocyclohexyl)benzenesulfonamide?
N,2,5-trimethyl-N-(4-oxocyclohexyl)benzenesulfonamide has a molecular weight of 295.40 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-N-(4-oxocyclohexyl)benzenesulfonamide is sourced from PubChem (CID 79120226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).