2-cyclopentylsulfonylaniline

C11H15NO2S — CID 12646367

IUPAC2-cyclopentylsulfonylaniline
SMILESNc1ccccc1S(=O)(=O)C1CCCC1
InChIInChI=1S/C11H15NO2S/c12-10-7-3-4-8-11(10)15(13,14)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6,12H2
InChIKeyNDFGZXFQVSEJDM-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.99
Rot. Bonds2

About 2-cyclopentylsulfonylaniline

2-cyclopentylsulfonylaniline (PubChem CID 12646367) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-cyclopentylsulfonylaniline.

Molecular Properties

Compound Name2-cyclopentylsulfonylaniline
PubChem CID12646367
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name2-cyclopentylsulfonylaniline
SMILESNc1ccccc1S(=O)(=O)C1CCCC1
InChIInChI=1S/C11H15NO2S/c12-10-7-3-4-8-11(10)15(13,14)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6,12H2
InChIKeyNDFGZXFQVSEJDM-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 2-cyclopentylsulfonylaniline?
The IUPAC name of 2-cyclopentylsulfonylaniline (CID 12646367) is 2-cyclopentylsulfonylaniline.
What is the SMILES notation for 2-cyclopentylsulfonylaniline?
The canonical SMILES for 2-cyclopentylsulfonylaniline is Nc1ccccc1S(=O)(=O)C1CCCC1.
What is the InChIKey of 2-cyclopentylsulfonylaniline?
The InChIKey is NDFGZXFQVSEJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c12-10-7-3-4-8-11(10)15(13,14)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6,12H2.
What are the key properties of 2-cyclopentylsulfonylaniline?
2-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 2-cyclopentylsulfonylaniline is sourced from PubChem (CID 12646367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).