4-fluoro-N-[3-(4-fluorophenyl)prop-2-ynyl]benzenesulfonamide

C15H11F2NO2S — CID 90552730

IUPAC4-fluoro-N-[3-(4-fluorophenyl)prop-2-ynyl]benzenesulfonamide
SMILESO=S(=O)(NCC#Cc1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H11F2NO2S/c16-13-5-3-12(4-6-13)2-1-11-18-21(19,20)15-9-7-14(17)8-10-15/h3-10,18H,11H2
InChIKeyXWYFOMCZIZOZCC-UHFFFAOYSA-N
MW307.32 g/mol
LogP2.29
Rot. Bonds3

About 4-fluoro-N-[3-(4-fluorophenyl)prop-2-ynyl]benzenesulfonamide

4-fluoro-N-[3-(4-fluorophenyl)prop-2-ynyl]benzenesulfonamide (PubChem CID 90552730) has the molecular formula C15H11F2NO2S and a molecular weight of 307.32 g/mol. Its IUPAC name is 4-fluoro-N-[3-(4-fluorophenyl)prop-2-ynyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[3-(4-fluorophenyl)prop-2-ynyl]benzenesulfonamide
PubChem CID90552730
Molecular FormulaC15H11F2NO2S
Molecular Weight307.32 g/mol
Exact Mass307.05
IUPAC Name4-fluoro-N-[3-(4-fluorophenyl)prop-2-ynyl]benzenesulfonamide
SMILESO=S(=O)(NCC#Cc1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H11F2NO2S/c16-13-5-3-12(4-6-13)2-1-11-18-21(19,20)15-9-7-14(17)8-10-15/h3-10,18H,11H2
InChIKeyXWYFOMCZIZOZCC-UHFFFAOYSA-N
XLogP2.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-fluoro-N-[3-(4-fluorophenyl)prop-2-ynyl]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

N-[3-(4-fluorophenyl)prop-2-ynyl]ethanesulfonamide
CID 90552726
N-[3-(4-fluorophenyl)prop-2-ynyl]-3-nitrobenzenesulfonamide
CID 90552761
4-fluoro-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzenesulfonamide
CID 33331877
N-[3-(4-methoxyphenyl)prop-2-ynyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90553121
N-[3-(4-acetylphenyl)prop-2-ynyl]-4-methylbenzenesulfonamide
CID 90553317
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-3-fluorobenzenesulfonamide
CID 90554367
4-ethyl-N-[3-(4-methoxyphenyl)prop-2-ynyl]benzenesulfonamide
CID 90553137
N-[3-(4-acetylphenyl)prop-2-ynyl]-4-tert-butylbenzenesulfonamide
CID 90553370
N-[4-[3-[(4-acetylphenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide
CID 90554254
N-[3-(4-fluorophenyl)prop-2-ynyl]cyclohexanesulfonamide
CID 90552796
4-bromo-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]benzenesulfonamide
CID 90554568
N-[4-[3-[(3-fluorophenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide
CID 90554249

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-(4-fluorophenyl)prop-2-ynyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[3-(4-fluorophenyl)prop-2-ynyl]benzenesulfonamide (CID 90552730) is 4-fluoro-N-[3-(4-fluorophenyl)prop-2-ynyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[3-(4-fluorophenyl)prop-2-ynyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[3-(4-fluorophenyl)prop-2-ynyl]benzenesulfonamide is O=S(=O)(NCC#Cc1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[3-(4-fluorophenyl)prop-2-ynyl]benzenesulfonamide?
The InChIKey is XWYFOMCZIZOZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO2S/c16-13-5-3-12(4-6-13)2-1-11-18-21(19,20)15-9-7-14(17)8-10-15/h3-10,18H,11H2.
What are the key properties of 4-fluoro-N-[3-(4-fluorophenyl)prop-2-ynyl]benzenesulfonamide?
4-fluoro-N-[3-(4-fluorophenyl)prop-2-ynyl]benzenesulfonamide has a molecular weight of 307.32 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-(4-fluorophenyl)prop-2-ynyl]benzenesulfonamide is sourced from PubChem (CID 90552730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).