4-methyl-2-(4-methylcyclohexyl)sulfonylaniline

C14H21NO2S — CID 81183994

IUPAC4-methyl-2-(4-methylcyclohexyl)sulfonylaniline
SMILESCc1ccc(N)c(S(=O)(=O)C2CCC(C)CC2)c1
InChIInChI=1S/C14H21NO2S/c1-10-3-6-12(7-4-10)18(16,17)14-9-11(2)5-8-13(14)15/h5,8-10,12H,3-4,6-7,15H2,1-2H3
InChIKeyCUOMEKUXUHBBMV-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.93
Rot. Bonds2

About 4-methyl-2-(4-methylcyclohexyl)sulfonylaniline

4-methyl-2-(4-methylcyclohexyl)sulfonylaniline (PubChem CID 81183994) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 4-methyl-2-(4-methylcyclohexyl)sulfonylaniline.

Molecular Properties

Compound Name4-methyl-2-(4-methylcyclohexyl)sulfonylaniline
PubChem CID81183994
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name4-methyl-2-(4-methylcyclohexyl)sulfonylaniline
SMILESCc1ccc(N)c(S(=O)(=O)C2CCC(C)CC2)c1
InChIInChI=1S/C14H21NO2S/c1-10-3-6-12(7-4-10)18(16,17)14-9-11(2)5-8-13(14)15/h5,8-10,12H,3-4,6-7,15H2,1-2H3
InChIKeyCUOMEKUXUHBBMV-UHFFFAOYSA-N
XLogP2.93
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-ethylcyclohexyl)sulfonyl-4-methylaniline
CID 81183239
4-chloro-2-(oxan-4-ylsulfonyl)aniline
CID 81180858
4-fluoro-2-(3-methylcyclohexyl)sulfonylaniline
CID 81183010
4-(2,4-dimethylphenyl)sulfonylcyclohexan-1-one
CID 117037250
2-(3,5-dimethylcyclohexyl)sulfonyl-4-methoxyaniline
CID 81207066
4-methyl-2-(4-methylcyclohexyl)oxyaniline
CID 64748056
2-cycloheptylsulfonyl-4-ethoxyaniline
CID 82935829
(4-methylcyclohexyl)sulfonylbenzene
CID 10537916
5-methyl-2-(4-methylazepan-1-yl)sulfonylaniline
CID 55248434
4-methyl-2-nonylsulfonylaniline
CID 81184082
2-(3,5-dimethylcyclohexyl)sulfonylaniline
CID 64729332
4-methyl-2-pentan-3-ylsulfonylaniline
CID 81183821

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methylcyclohexyl)sulfonylaniline?
The IUPAC name of 4-methyl-2-(4-methylcyclohexyl)sulfonylaniline (CID 81183994) is 4-methyl-2-(4-methylcyclohexyl)sulfonylaniline.
What is the SMILES notation for 4-methyl-2-(4-methylcyclohexyl)sulfonylaniline?
The canonical SMILES for 4-methyl-2-(4-methylcyclohexyl)sulfonylaniline is Cc1ccc(N)c(S(=O)(=O)C2CCC(C)CC2)c1.
What is the InChIKey of 4-methyl-2-(4-methylcyclohexyl)sulfonylaniline?
The InChIKey is CUOMEKUXUHBBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-10-3-6-12(7-4-10)18(16,17)14-9-11(2)5-8-13(14)15/h5,8-10,12H,3-4,6-7,15H2,1-2H3.
What are the key properties of 4-methyl-2-(4-methylcyclohexyl)sulfonylaniline?
4-methyl-2-(4-methylcyclohexyl)sulfonylaniline has a molecular weight of 267.39 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methylcyclohexyl)sulfonylaniline is sourced from PubChem (CID 81183994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).