3-cyclopentylsulfonylaniline

C11H15NO2S — CID 12744609

IUPAC3-cyclopentylsulfonylaniline
SMILESNc1cccc(S(=O)(=O)C2CCCC2)c1
InChIInChI=1S/C11H15NO2S/c12-9-4-3-7-11(8-9)15(13,14)10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,12H2
InChIKeyLAQAMRJFXNMGOQ-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.99
Rot. Bonds2

About 3-cyclopentylsulfonylaniline

3-cyclopentylsulfonylaniline (PubChem CID 12744609) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 3-cyclopentylsulfonylaniline.

Molecular Properties

Compound Name3-cyclopentylsulfonylaniline
PubChem CID12744609
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name3-cyclopentylsulfonylaniline
SMILESNc1cccc(S(=O)(=O)C2CCCC2)c1
InChIInChI=1S/C11H15NO2S/c12-9-4-3-7-11(8-9)15(13,14)10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,12H2
InChIKeyLAQAMRJFXNMGOQ-UHFFFAOYSA-N
XLogP1.99
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfonylaniline?
The IUPAC name of 3-cyclopentylsulfonylaniline (CID 12744609) is 3-cyclopentylsulfonylaniline.
What is the SMILES notation for 3-cyclopentylsulfonylaniline?
The canonical SMILES for 3-cyclopentylsulfonylaniline is Nc1cccc(S(=O)(=O)C2CCCC2)c1.
What is the InChIKey of 3-cyclopentylsulfonylaniline?
The InChIKey is LAQAMRJFXNMGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c12-9-4-3-7-11(8-9)15(13,14)10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,12H2.
What are the key properties of 3-cyclopentylsulfonylaniline?
3-cyclopentylsulfonylaniline has a molecular weight of 225.31 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfonylaniline is sourced from PubChem (CID 12744609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).