4-(3-ethylcyclohexyl)sulfonyl-3-methoxyaniline

C15H23NO3S — CID 81206562

IUPAC4-(3-ethylcyclohexyl)sulfonyl-3-methoxyaniline
SMILESCCC1CCCC(S(=O)(=O)c2ccc(N)cc2OC)C1
InChIInChI=1S/C15H23NO3S/c1-3-11-5-4-6-13(9-11)20(17,18)15-8-7-12(16)10-14(15)19-2/h7-8,10-11,13H,3-6,9,16H2,1-2H3
InChIKeyXVSNCVBTPNWKCW-UHFFFAOYSA-N
MW297.42 g/mol
LogP3.02
Rot. Bonds4

About 4-(3-ethylcyclohexyl)sulfonyl-3-methoxyaniline

4-(3-ethylcyclohexyl)sulfonyl-3-methoxyaniline (PubChem CID 81206562) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 4-(3-ethylcyclohexyl)sulfonyl-3-methoxyaniline.

Molecular Properties

Compound Name4-(3-ethylcyclohexyl)sulfonyl-3-methoxyaniline
PubChem CID81206562
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name4-(3-ethylcyclohexyl)sulfonyl-3-methoxyaniline
SMILESCCC1CCCC(S(=O)(=O)c2ccc(N)cc2OC)C1
InChIInChI=1S/C15H23NO3S/c1-3-11-5-4-6-13(9-11)20(17,18)15-8-7-12(16)10-14(15)19-2/h7-8,10-11,13H,3-6,9,16H2,1-2H3
InChIKeyXVSNCVBTPNWKCW-UHFFFAOYSA-N
XLogP3.02
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 53.02
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-(3,5-dimethylcyclohexyl)sulfonyl-3-methoxyaniline
CID 81207202
4-(cyclohexylmethylsulfonyl)-3-methoxyaniline
CID 81206561
2-(3-ethylcyclohexyl)sulfonyl-6-methylaniline
CID 81188953
2-(3-ethylcyclohexyl)sulfonyl-4-methylaniline
CID 81183239
2-(3-ethylcyclohexyl)sulfonyl-4-fluoroaniline
CID 81184032
4-ethylsulfonyl-3-methoxyaniline
CID 81207779
N-(4-amino-2-methoxyphenyl)-1-cyclohexylmethanesulfonamide
CID 61453809
3-methoxy-4-(oxolan-3-ylmethylsulfonyl)aniline
CID 81207444
4-amino-N-(dicyclopropylmethyl)-2-methoxybenzenesulfonamide
CID 61479238
5-amino-N-(4-ethylcyclohexyl)-2-methoxybenzenesulfonamide
CID 61467171
4-(4-ethylcyclohexyl)sulfanyl-3-methoxyaniline
CID 79830615

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylcyclohexyl)sulfonyl-3-methoxyaniline?
The IUPAC name of 4-(3-ethylcyclohexyl)sulfonyl-3-methoxyaniline (CID 81206562) is 4-(3-ethylcyclohexyl)sulfonyl-3-methoxyaniline.
What is the SMILES notation for 4-(3-ethylcyclohexyl)sulfonyl-3-methoxyaniline?
The canonical SMILES for 4-(3-ethylcyclohexyl)sulfonyl-3-methoxyaniline is CCC1CCCC(S(=O)(=O)c2ccc(N)cc2OC)C1.
What is the InChIKey of 4-(3-ethylcyclohexyl)sulfonyl-3-methoxyaniline?
The InChIKey is XVSNCVBTPNWKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-3-11-5-4-6-13(9-11)20(17,18)15-8-7-12(16)10-14(15)19-2/h7-8,10-11,13H,3-6,9,16H2,1-2H3.
What are the key properties of 4-(3-ethylcyclohexyl)sulfonyl-3-methoxyaniline?
4-(3-ethylcyclohexyl)sulfonyl-3-methoxyaniline has a molecular weight of 297.42 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylcyclohexyl)sulfonyl-3-methoxyaniline is sourced from PubChem (CID 81206562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).