4-fluoro-N-[4-(2-phenylethynyl)phenyl]benzenesulfonamide

C20H14FNO2S — CID 1472868

IUPAC4-fluoro-N-[4-(2-phenylethynyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(C#Cc2ccccc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H14FNO2S/c21-18-10-14-20(15-11-18)25(23,24)22-19-12-8-17(9-13-19)7-6-16-4-2-1-3-5-16/h1-5,8-15,22H
InChIKeyQMZNERGDHQXWCY-UHFFFAOYSA-N
MW351.40 g/mol
LogP4.03
Rot. Bonds3

About 4-fluoro-N-[4-(2-phenylethynyl)phenyl]benzenesulfonamide

4-fluoro-N-[4-(2-phenylethynyl)phenyl]benzenesulfonamide (PubChem CID 1472868) has the molecular formula C20H14FNO2S and a molecular weight of 351.40 g/mol. Its IUPAC name is 4-fluoro-N-[4-(2-phenylethynyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[4-(2-phenylethynyl)phenyl]benzenesulfonamide
PubChem CID1472868
Molecular FormulaC20H14FNO2S
Molecular Weight351.40 g/mol
Exact Mass351.07
IUPAC Name4-fluoro-N-[4-(2-phenylethynyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(C#Cc2ccccc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H14FNO2S/c21-18-10-14-20(15-11-18)25(23,24)22-19-12-8-17(9-13-19)7-6-16-4-2-1-3-5-16/h1-5,8-15,22H
InChIKeyQMZNERGDHQXWCY-UHFFFAOYSA-N
XLogP4.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-fluoro-N-[4-(2-phenylethynyl)phenyl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
N-[4-(4-fluorobenzoyl)phenyl]benzenesulfonamide
CID 21205051
4-fluoro-N-(4-hydroxyphenyl)benzenesulfonamide
CID 764850
4-[(4-fluorophenyl)sulfamoyl]benzoic acid
CID 2345459
N-[4-(3-cyanoanilino)phenyl]-4-fluorobenzenesulfonamide
CID 112989988
4-[(4-fluorophenyl)sulfonylamino]-N-pyrimidin-2-ylbenzenesulfonamide
CID 1164234
4-fluoro-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]benzenesulfonamide
CID 86814929
4-[(4-methylsulfanylphenyl)sulfonylamino]-N-phenylbenzenesulfonamide
CID 1249295
N-hydroxy-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-ynamide
CID 4146
N-[4-(bromomethyl)phenyl]-4-fluorobenzenesulfonamide
CID 18629013
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetic acid
CID 672063

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-(2-phenylethynyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[4-(2-phenylethynyl)phenyl]benzenesulfonamide (CID 1472868) is 4-fluoro-N-[4-(2-phenylethynyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[4-(2-phenylethynyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[4-(2-phenylethynyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(C#Cc2ccccc2)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[4-(2-phenylethynyl)phenyl]benzenesulfonamide?
The InChIKey is QMZNERGDHQXWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNO2S/c21-18-10-14-20(15-11-18)25(23,24)22-19-12-8-17(9-13-19)7-6-16-4-2-1-3-5-16/h1-5,8-15,22H.
What are the key properties of 4-fluoro-N-[4-(2-phenylethynyl)phenyl]benzenesulfonamide?
4-fluoro-N-[4-(2-phenylethynyl)phenyl]benzenesulfonamide has a molecular weight of 351.40 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-(2-phenylethynyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 1472868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).