N,3,4-trimethyl-N-(2-methylcyclohexyl)benzenesulfonamide

C16H25NO2S — CID 47165021

IUPACN,3,4-trimethyl-N-(2-methylcyclohexyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C2CCCCC2C)cc1C
InChIInChI=1S/C16H25NO2S/c1-12-9-10-15(11-14(12)3)20(18,19)17(4)16-8-6-5-7-13(16)2/h9-11,13,16H,5-8H2,1-4H3
InChIKeyRHZLEGJIPUFVIP-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.50
Rot. Bonds3

About N,3,4-trimethyl-N-(2-methylcyclohexyl)benzenesulfonamide

N,3,4-trimethyl-N-(2-methylcyclohexyl)benzenesulfonamide (PubChem CID 47165021) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is N,3,4-trimethyl-N-(2-methylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound NameN,3,4-trimethyl-N-(2-methylcyclohexyl)benzenesulfonamide
PubChem CID47165021
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC NameN,3,4-trimethyl-N-(2-methylcyclohexyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C2CCCCC2C)cc1C
InChIInChI=1S/C16H25NO2S/c1-12-9-10-15(11-14(12)3)20(18,19)17(4)16-8-6-5-7-13(16)2/h9-11,13,16H,5-8H2,1-4H3
InChIKeyRHZLEGJIPUFVIP-UHFFFAOYSA-N
XLogP3.50
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chlorocyclohexyl)-N,3,4-trimethylbenzenesulfonamide
CID 102638762
4-bromo-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 47165024
N-methyl-N-(2-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422029
3-hydroxy-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 81258647
2-chloro-N-methyl-N-(2-methylcyclohexyl)pyridine-4-sulfonamide
CID 61046115
3-amino-5-fluoro-N,4-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 116791589
2-amino-N-methyl-N-(2-methylcyclohexyl)pyrimidine-5-sulfonamide
CID 62159050
3,4-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 1256393
N-(1-ethylpiperidin-4-yl)-N,3,4-trimethylbenzenesulfonamide
CID 36649156
N-cyclohexyl-4-fluoro-N,3-dimethylbenzenesulfonamide
CID 892144
N-cyclopropyl-3,4-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 42960081
4-bromo-N-cyclohexyl-N,3-dimethylbenzenesulfonamide
CID 42997513

Frequently Asked Questions

What is the IUPAC name of N,3,4-trimethyl-N-(2-methylcyclohexyl)benzenesulfonamide?
The IUPAC name of N,3,4-trimethyl-N-(2-methylcyclohexyl)benzenesulfonamide (CID 47165021) is N,3,4-trimethyl-N-(2-methylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for N,3,4-trimethyl-N-(2-methylcyclohexyl)benzenesulfonamide?
The canonical SMILES for N,3,4-trimethyl-N-(2-methylcyclohexyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)C2CCCCC2C)cc1C.
What is the InChIKey of N,3,4-trimethyl-N-(2-methylcyclohexyl)benzenesulfonamide?
The InChIKey is RHZLEGJIPUFVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-12-9-10-15(11-14(12)3)20(18,19)17(4)16-8-6-5-7-13(16)2/h9-11,13,16H,5-8H2,1-4H3.
What are the key properties of N,3,4-trimethyl-N-(2-methylcyclohexyl)benzenesulfonamide?
N,3,4-trimethyl-N-(2-methylcyclohexyl)benzenesulfonamide has a molecular weight of 295.45 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,4-trimethyl-N-(2-methylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 47165021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).