4-cyclopentylsulfonyl-2-fluoroaniline

C11H14FNO2S — CID 81187896

IUPAC4-cyclopentylsulfonyl-2-fluoroaniline
SMILESNc1ccc(S(=O)(=O)C2CCCC2)cc1F
InChIInChI=1S/C11H14FNO2S/c12-10-7-9(5-6-11(10)13)16(14,15)8-3-1-2-4-8/h5-8H,1-4,13H2
InChIKeyPGBVZOUMUPFCGQ-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.12
Rot. Bonds2

About 4-cyclopentylsulfonyl-2-fluoroaniline

4-cyclopentylsulfonyl-2-fluoroaniline (PubChem CID 81187896) has the molecular formula C11H14FNO2S and a molecular weight of 243.30 g/mol. Its IUPAC name is 4-cyclopentylsulfonyl-2-fluoroaniline.

Molecular Properties

Compound Name4-cyclopentylsulfonyl-2-fluoroaniline
PubChem CID81187896
Molecular FormulaC11H14FNO2S
Molecular Weight243.30 g/mol
Exact Mass243.07
IUPAC Name4-cyclopentylsulfonyl-2-fluoroaniline
SMILESNc1ccc(S(=O)(=O)C2CCCC2)cc1F
InChIInChI=1S/C11H14FNO2S/c12-10-7-9(5-6-11(10)13)16(14,15)8-3-1-2-4-8/h5-8H,1-4,13H2
InChIKeyPGBVZOUMUPFCGQ-UHFFFAOYSA-N
XLogP2.12
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-cyclopentylsulfonyl-2-fluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentylsulfonyl-2-fluoroaniline?
The IUPAC name of 4-cyclopentylsulfonyl-2-fluoroaniline (CID 81187896) is 4-cyclopentylsulfonyl-2-fluoroaniline.
What is the SMILES notation for 4-cyclopentylsulfonyl-2-fluoroaniline?
The canonical SMILES for 4-cyclopentylsulfonyl-2-fluoroaniline is Nc1ccc(S(=O)(=O)C2CCCC2)cc1F.
What is the InChIKey of 4-cyclopentylsulfonyl-2-fluoroaniline?
The InChIKey is PGBVZOUMUPFCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2S/c12-10-7-9(5-6-11(10)13)16(14,15)8-3-1-2-4-8/h5-8H,1-4,13H2.
What are the key properties of 4-cyclopentylsulfonyl-2-fluoroaniline?
4-cyclopentylsulfonyl-2-fluoroaniline has a molecular weight of 243.30 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentylsulfonyl-2-fluoroaniline is sourced from PubChem (CID 81187896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).