3,5-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide

C15H24N2O2S — CID 79111370

IUPAC3,5-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
SMILESCNC1CCC(NS(=O)(=O)c2cc(C)cc(C)c2)CC1
InChIInChI=1S/C15H24N2O2S/c1-11-8-12(2)10-15(9-11)20(18,19)17-14-6-4-13(16-3)5-7-14/h8-10,13-14,16-17H,4-7H2,1-3H3
InChIKeyMIQOGYBJSMUHCT-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.11
Rot. Bonds4

About 3,5-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide

3,5-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide (PubChem CID 79111370) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 3,5-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
PubChem CID79111370
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name3,5-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
SMILESCNC1CCC(NS(=O)(=O)c2cc(C)cc(C)c2)CC1
InChIInChI=1S/C15H24N2O2S/c1-11-8-12(2)10-15(9-11)20(18,19)17-14-6-4-13(16-3)5-7-14/h8-10,13-14,16-17H,4-7H2,1-3H3
InChIKeyMIQOGYBJSMUHCT-UHFFFAOYSA-N
XLogP2.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-cyclopropyl-5-methylbenzenesulfonamide
CID 82184304
N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 43653533
N-(3,3-dimethylcyclopentyl)-3,5-dimethylbenzenesulfonamide
CID 114545447
N,3,5-trimethylbenzenesulfonamide
CID 58422303
N-cyclopropyl-3,5-difluorobenzenesulfonamide
CID 60648847
3,5-dichloro-N-cyclopropylbenzenesulfonamide
CID 26947993
3-amino-5-methyl-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 54949964
3-amino-4,5-dimethyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 28545115
N-cyclooctyl-3-methylbenzenesulfonamide
CID 2497018
3-bromo-5-methyl-N-[(4S)-oxepan-4-yl]benzenesulfonamide
CID 99788629
3-bromo-4-methoxy-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79118101
4-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60808567

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide?
The IUPAC name of 3,5-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide (CID 79111370) is 3,5-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide is CNC1CCC(NS(=O)(=O)c2cc(C)cc(C)c2)CC1.
What is the InChIKey of 3,5-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide?
The InChIKey is MIQOGYBJSMUHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-11-8-12(2)10-15(9-11)20(18,19)17-14-6-4-13(16-3)5-7-14/h8-10,13-14,16-17H,4-7H2,1-3H3.
What are the key properties of 3,5-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide?
3,5-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 79111370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).