5-chloro-2-cyano-N-ethyl-N-(4-fluorophenyl)benzenesulfonamide

C15H12ClFN2O2S — CID 34043521

IUPAC5-chloro-2-cyano-N-ethyl-N-(4-fluorophenyl)benzenesulfonamide
SMILESCCN(c1ccc(F)cc1)S(=O)(=O)c1cc(Cl)ccc1C#N
InChIInChI=1S/C15H12ClFN2O2S/c1-2-19(14-7-5-13(17)6-8-14)22(20,21)15-9-12(16)4-3-11(15)10-18/h3-9H,2H2,1H3
InChIKeyZACHVANDRPCFDR-UHFFFAOYSA-N
MW338.79 g/mol
LogP3.57
Rot. Bonds4

About 5-chloro-2-cyano-N-ethyl-N-(4-fluorophenyl)benzenesulfonamide

5-chloro-2-cyano-N-ethyl-N-(4-fluorophenyl)benzenesulfonamide (PubChem CID 34043521) has the molecular formula C15H12ClFN2O2S and a molecular weight of 338.79 g/mol. Its IUPAC name is 5-chloro-2-cyano-N-ethyl-N-(4-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-cyano-N-ethyl-N-(4-fluorophenyl)benzenesulfonamide
PubChem CID34043521
Molecular FormulaC15H12ClFN2O2S
Molecular Weight338.79 g/mol
Exact Mass338.03
IUPAC Name5-chloro-2-cyano-N-ethyl-N-(4-fluorophenyl)benzenesulfonamide
SMILESCCN(c1ccc(F)cc1)S(=O)(=O)c1cc(Cl)ccc1C#N
InChIInChI=1S/C15H12ClFN2O2S/c1-2-19(14-7-5-13(17)6-8-14)22(20,21)15-9-12(16)4-3-11(15)10-18/h3-9H,2H2,1H3
InChIKeyZACHVANDRPCFDR-UHFFFAOYSA-N
XLogP3.57
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-cyano-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 54879174
3-chloro-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 28534252
N-(4-aminophenyl)-N-ethyl-2,5-difluorobenzenesulfonamide
CID 63233568
N-(4-bromophenyl)-2,5-dichloro-N-ethylbenzenesulfonamide
CID 100506692
N-(3-aminopropyl)-5-chloro-2-cyano-N-methylbenzenesulfonamide
CID 113285759
5-chloro-2-cyano-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 79387594
N-(azetidin-3-yl)-5-chloro-2-cyano-N-propylbenzenesulfonamide
CID 66214863
4-[(5-chloro-2-cyanophenyl)sulfonyl-methylamino]butanoic acid
CID 43245320
5-chloro-2-cyanobenzenesulfonamide
CID 43243622
5-chloro-2-cyano-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
CID 64516881
4-bromo-N-ethyl-3-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 103697234
ethyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonyl-ethylamino]benzoate
CID 100509655

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-cyano-N-ethyl-N-(4-fluorophenyl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-cyano-N-ethyl-N-(4-fluorophenyl)benzenesulfonamide (CID 34043521) is 5-chloro-2-cyano-N-ethyl-N-(4-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-cyano-N-ethyl-N-(4-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-cyano-N-ethyl-N-(4-fluorophenyl)benzenesulfonamide is CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(Cl)ccc1C#N.
What is the InChIKey of 5-chloro-2-cyano-N-ethyl-N-(4-fluorophenyl)benzenesulfonamide?
The InChIKey is ZACHVANDRPCFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O2S/c1-2-19(14-7-5-13(17)6-8-14)22(20,21)15-9-12(16)4-3-11(15)10-18/h3-9H,2H2,1H3.
What are the key properties of 5-chloro-2-cyano-N-ethyl-N-(4-fluorophenyl)benzenesulfonamide?
5-chloro-2-cyano-N-ethyl-N-(4-fluorophenyl)benzenesulfonamide has a molecular weight of 338.79 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-cyano-N-ethyl-N-(4-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 34043521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).