2-cycloheptylsulfonyl-4-ethoxyaniline

C15H23NO3S — CID 82935829

IUPAC2-cycloheptylsulfonyl-4-ethoxyaniline
SMILESCCOc1ccc(N)c(S(=O)(=O)C2CCCCCC2)c1
InChIInChI=1S/C15H23NO3S/c1-2-19-12-9-10-14(16)15(11-12)20(17,18)13-7-5-3-4-6-8-13/h9-11,13H,2-8,16H2,1H3
InChIKeyFTUBCJMUBCBAAW-UHFFFAOYSA-N
MW297.42 g/mol
LogP3.16
Rot. Bonds4

About 2-cycloheptylsulfonyl-4-ethoxyaniline

2-cycloheptylsulfonyl-4-ethoxyaniline (PubChem CID 82935829) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-cycloheptylsulfonyl-4-ethoxyaniline.

Molecular Properties

Compound Name2-cycloheptylsulfonyl-4-ethoxyaniline
PubChem CID82935829
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name2-cycloheptylsulfonyl-4-ethoxyaniline
SMILESCCOc1ccc(N)c(S(=O)(=O)C2CCCCCC2)c1
InChIInChI=1S/C15H23NO3S/c1-2-19-12-9-10-14(16)15(11-12)20(17,18)13-7-5-3-4-6-8-13/h9-11,13H,2-8,16H2,1H3
InChIKeyFTUBCJMUBCBAAW-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cycloheptylsulfonyl-4-ethoxyaniline?
The IUPAC name of 2-cycloheptylsulfonyl-4-ethoxyaniline (CID 82935829) is 2-cycloheptylsulfonyl-4-ethoxyaniline.
What is the SMILES notation for 2-cycloheptylsulfonyl-4-ethoxyaniline?
The canonical SMILES for 2-cycloheptylsulfonyl-4-ethoxyaniline is CCOc1ccc(N)c(S(=O)(=O)C2CCCCCC2)c1.
What is the InChIKey of 2-cycloheptylsulfonyl-4-ethoxyaniline?
The InChIKey is FTUBCJMUBCBAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-2-19-12-9-10-14(16)15(11-12)20(17,18)13-7-5-3-4-6-8-13/h9-11,13H,2-8,16H2,1H3.
What are the key properties of 2-cycloheptylsulfonyl-4-ethoxyaniline?
2-cycloheptylsulfonyl-4-ethoxyaniline has a molecular weight of 297.42 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptylsulfonyl-4-ethoxyaniline is sourced from PubChem (CID 82935829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).