N-(2-ethynyl-5-fluorophenyl)-4-methylbenzenesulfonamide

C15H12FNO2S — CID 169225905

IUPACN-(2-ethynyl-5-fluorophenyl)-4-methylbenzenesulfonamide
SMILESC#Cc1ccc(F)cc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H12FNO2S/c1-3-12-6-7-13(16)10-15(12)17-20(18,19)14-8-4-11(2)5-9-14/h1,4-10,17H,2H3
InChIKeyFNFCAMXAMPNGAE-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.92
Rot. Bonds3

About N-(2-ethynyl-5-fluorophenyl)-4-methylbenzenesulfonamide

N-(2-ethynyl-5-fluorophenyl)-4-methylbenzenesulfonamide (PubChem CID 169225905) has the molecular formula C15H12FNO2S and a molecular weight of 289.33 g/mol. Its IUPAC name is N-(2-ethynyl-5-fluorophenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethynyl-5-fluorophenyl)-4-methylbenzenesulfonamide
PubChem CID169225905
Molecular FormulaC15H12FNO2S
Molecular Weight289.33 g/mol
Exact Mass289.06
IUPAC NameN-(2-ethynyl-5-fluorophenyl)-4-methylbenzenesulfonamide
SMILESC#Cc1ccc(F)cc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H12FNO2S/c1-3-12-6-7-13(16)10-15(12)17-20(18,19)14-8-4-11(2)5-9-14/h1,4-10,17H,2H3
InChIKeyFNFCAMXAMPNGAE-UHFFFAOYSA-N
XLogP2.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethynyl-4-phenylphenyl)-4-methylbenzenesulfonamide
CID 169225924
N-[2-(2,2-dimethylpropoxy)-5-fluorophenyl]-4-methylbenzenesulfonamide
CID 169371660
N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-4-methylbenzenesulfonamide
CID 24656665
N-(2-bromo-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 845073
N-(2-amino-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 43259163
N-(5-fluoro-2-methylphenyl)-4-nitrobenzenesulfonamide
CID 7514342
N-(5-fluoro-2-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide
CID 113092748
N-[4-fluoro-2-(2-hydroxyacetyl)phenyl]-4-methylbenzenesulfonamide
CID 153295632
N-(5-bromo-2-cyano-4-fluorophenyl)-4-methylbenzenesulfonamide
CID 169373336
4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 1241617
N-(7-fluoronaphthalen-2-yl)-4-methylbenzenesulfonamide
CID 132500915
N-(2-amino-5-fluorophenyl)-3,5-dimethylbenzenesulfonamide
CID 63257001

Frequently Asked Questions

What is the IUPAC name of N-(2-ethynyl-5-fluorophenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(2-ethynyl-5-fluorophenyl)-4-methylbenzenesulfonamide (CID 169225905) is N-(2-ethynyl-5-fluorophenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-ethynyl-5-fluorophenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-ethynyl-5-fluorophenyl)-4-methylbenzenesulfonamide is C#Cc1ccc(F)cc1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(2-ethynyl-5-fluorophenyl)-4-methylbenzenesulfonamide?
The InChIKey is FNFCAMXAMPNGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO2S/c1-3-12-6-7-13(16)10-15(12)17-20(18,19)14-8-4-11(2)5-9-14/h1,4-10,17H,2H3.
What are the key properties of N-(2-ethynyl-5-fluorophenyl)-4-methylbenzenesulfonamide?
N-(2-ethynyl-5-fluorophenyl)-4-methylbenzenesulfonamide has a molecular weight of 289.33 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethynyl-5-fluorophenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 169225905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).