4-(4-fluorophenyl)sulfonylaniline

C12H10FNO2S — CID 572814

IUPAC4-(4-fluorophenyl)sulfonylaniline
SMILESNc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C12H10FNO2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,14H2
InChIKeyYKLGSFACDTUTPG-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.24
Rot. Bonds2

About 4-(4-fluorophenyl)sulfonylaniline

4-(4-fluorophenyl)sulfonylaniline (PubChem CID 572814) has the molecular formula C12H10FNO2S and a molecular weight of 251.28 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfonylaniline.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfonylaniline
PubChem CID572814
Molecular FormulaC12H10FNO2S
Molecular Weight251.28 g/mol
Exact Mass251.04
IUPAC Name4-(4-fluorophenyl)sulfonylaniline
SMILESNc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C12H10FNO2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,14H2
InChIKeyYKLGSFACDTUTPG-UHFFFAOYSA-N
XLogP2.24
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(4-fluorophenyl)sulfonylaniline 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-(4-fluorophenyl)sulfonylaniline?
The IUPAC name of 4-(4-fluorophenyl)sulfonylaniline (CID 572814) is 4-(4-fluorophenyl)sulfonylaniline.
What is the SMILES notation for 4-(4-fluorophenyl)sulfonylaniline?
The canonical SMILES for 4-(4-fluorophenyl)sulfonylaniline is Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)sulfonylaniline?
The InChIKey is YKLGSFACDTUTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,14H2.
What are the key properties of 4-(4-fluorophenyl)sulfonylaniline?
4-(4-fluorophenyl)sulfonylaniline has a molecular weight of 251.28 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfonylaniline is sourced from PubChem (CID 572814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).