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

C15H23NO3S — CID 81207202

IUPAC4-(3,5-dimethylcyclohexyl)sulfonyl-3-methoxyaniline
SMILESCOc1cc(N)ccc1S(=O)(=O)C1CC(C)CC(C)C1
InChIInChI=1S/C15H23NO3S/c1-10-6-11(2)8-13(7-10)20(17,18)15-5-4-12(16)9-14(15)19-3/h4-5,9-11,13H,6-8,16H2,1-3H3
InChIKeyDPHVPFZIKMCDGC-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.88
Rot. Bonds3

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

4-(3,5-dimethylcyclohexyl)sulfonyl-3-methoxyaniline (PubChem CID 81207202) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 4-(3,5-dimethylcyclohexyl)sulfonyl-3-methoxyaniline.

Molecular Properties

Compound Name4-(3,5-dimethylcyclohexyl)sulfonyl-3-methoxyaniline
PubChem CID81207202
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name4-(3,5-dimethylcyclohexyl)sulfonyl-3-methoxyaniline
SMILESCOc1cc(N)ccc1S(=O)(=O)C1CC(C)CC(C)C1
InChIInChI=1S/C15H23NO3S/c1-10-6-11(2)8-13(7-10)20(17,18)15-5-4-12(16)9-14(15)19-3/h4-5,9-11,13H,6-8,16H2,1-3H3
InChIKeyDPHVPFZIKMCDGC-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-cyclopentylsulfonyl-3-methoxyaniline
CID 81207041
4-(3-ethylcyclohexyl)sulfonyl-3-methoxyaniline
CID 81206562
2-(3,5-dimethylcyclohexyl)sulfonyl-4-methoxyaniline
CID 81207066
2-(3,5-dimethylcyclohexyl)sulfonylaniline
CID 64729332
4-ethylsulfonyl-3-methoxyaniline
CID 81207779
5-chloro-2-(3,5-dimethylcyclohexyl)sulfonylaniline
CID 81175102
4-(cyclohexylmethylsulfonyl)-3-methoxyaniline
CID 81206561
4-amino-N-(dicyclopropylmethyl)-2-methoxybenzenesulfonamide
CID 61479238
4-benzylsulfonyl-3-methoxyaniline
CID 81207616
4-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-3-methoxyaniline
CID 63604874
4-amino-N-(1-cyclopropylethyl)-2-methoxybenzenesulfonamide
CID 43533120
4-(3,5-dimethylpiperidin-1-yl)-3-methoxyaniline
CID 91679308

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylcyclohexyl)sulfonyl-3-methoxyaniline?
The IUPAC name of 4-(3,5-dimethylcyclohexyl)sulfonyl-3-methoxyaniline (CID 81207202) is 4-(3,5-dimethylcyclohexyl)sulfonyl-3-methoxyaniline.
What is the SMILES notation for 4-(3,5-dimethylcyclohexyl)sulfonyl-3-methoxyaniline?
The canonical SMILES for 4-(3,5-dimethylcyclohexyl)sulfonyl-3-methoxyaniline is COc1cc(N)ccc1S(=O)(=O)C1CC(C)CC(C)C1.
What is the InChIKey of 4-(3,5-dimethylcyclohexyl)sulfonyl-3-methoxyaniline?
The InChIKey is DPHVPFZIKMCDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-10-6-11(2)8-13(7-10)20(17,18)15-5-4-12(16)9-14(15)19-3/h4-5,9-11,13H,6-8,16H2,1-3H3.
What are the key properties of 4-(3,5-dimethylcyclohexyl)sulfonyl-3-methoxyaniline?
4-(3,5-dimethylcyclohexyl)sulfonyl-3-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 4-(3,5-dimethylcyclohexyl)sulfonyl-3-methoxyaniline is sourced from PubChem (CID 81207202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).