2-(3,5-dimethylcyclohexyl)sulfonyl-4-methoxyaniline

C15H23NO3S — CID 81207066

IUPAC2-(3,5-dimethylcyclohexyl)sulfonyl-4-methoxyaniline
SMILESCOc1ccc(N)c(S(=O)(=O)C2CC(C)CC(C)C2)c1
InChIInChI=1S/C15H23NO3S/c1-10-6-11(2)8-13(7-10)20(17,18)15-9-12(19-3)4-5-14(15)16/h4-5,9-11,13H,6-8,16H2,1-3H3
InChIKeyYZGXLZUOEYTGCU-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.88
Rot. Bonds3

About 2-(3,5-dimethylcyclohexyl)sulfonyl-4-methoxyaniline

2-(3,5-dimethylcyclohexyl)sulfonyl-4-methoxyaniline (PubChem CID 81207066) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-(3,5-dimethylcyclohexyl)sulfonyl-4-methoxyaniline.

Molecular Properties

Compound Name2-(3,5-dimethylcyclohexyl)sulfonyl-4-methoxyaniline
PubChem CID81207066
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name2-(3,5-dimethylcyclohexyl)sulfonyl-4-methoxyaniline
SMILESCOc1ccc(N)c(S(=O)(=O)C2CC(C)CC(C)C2)c1
InChIInChI=1S/C15H23NO3S/c1-10-6-11(2)8-13(7-10)20(17,18)15-9-12(19-3)4-5-14(15)16/h4-5,9-11,13H,6-8,16H2,1-3H3
InChIKeyYZGXLZUOEYTGCU-UHFFFAOYSA-N
XLogP2.88
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3,5-dimethylcyclohexyl)sulfonyl-3-methoxyaniline
CID 81207202
2-(3,5-dimethylcyclohexyl)sulfonylaniline
CID 64729332
lithium 2-amino-5-methoxybenzenesulfonate
CID 101304006
5-chloro-2-(3,5-dimethylcyclohexyl)sulfonylaniline
CID 81175102
4-methoxy-2-(methoxymethylsulfonyl)aniline
CID 81207309
4-fluoro-2-(3-methylcyclohexyl)sulfonylaniline
CID 81183010
2-cycloheptylsulfonyl-4-ethoxyaniline
CID 82935829
2-butan-2-ylsulfonyl-4-methoxyaniline
CID 81207556
2-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-5-methoxyaniline
CID 79188219
2-amino-4-methoxy-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 115597756
2-[(3-bromophenyl)methylsulfonyl]-4-methoxyaniline
CID 81207392
4-[(2-amino-5-methoxyphenyl)sulfonylmethyl]phenol
CID 81206980

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylcyclohexyl)sulfonyl-4-methoxyaniline?
The IUPAC name of 2-(3,5-dimethylcyclohexyl)sulfonyl-4-methoxyaniline (CID 81207066) is 2-(3,5-dimethylcyclohexyl)sulfonyl-4-methoxyaniline.
What is the SMILES notation for 2-(3,5-dimethylcyclohexyl)sulfonyl-4-methoxyaniline?
The canonical SMILES for 2-(3,5-dimethylcyclohexyl)sulfonyl-4-methoxyaniline is COc1ccc(N)c(S(=O)(=O)C2CC(C)CC(C)C2)c1.
What is the InChIKey of 2-(3,5-dimethylcyclohexyl)sulfonyl-4-methoxyaniline?
The InChIKey is YZGXLZUOEYTGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-10-6-11(2)8-13(7-10)20(17,18)15-9-12(19-3)4-5-14(15)16/h4-5,9-11,13H,6-8,16H2,1-3H3.
What are the key properties of 2-(3,5-dimethylcyclohexyl)sulfonyl-4-methoxyaniline?
2-(3,5-dimethylcyclohexyl)sulfonyl-4-methoxyaniline has a molecular weight of 297.42 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylcyclohexyl)sulfonyl-4-methoxyaniline is sourced from PubChem (CID 81207066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).