4-cyano-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide

C10H8F4N2O2S — CID 103577915

IUPAC4-cyano-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCC(F)(F)C(F)F)cc1
InChIInChI=1S/C10H8F4N2O2S/c11-9(12)10(13,14)6-16-19(17,18)8-3-1-7(5-15)2-4-8/h1-4,9,16H,6H2
InChIKeyWDZBUYNEBYCIEQ-UHFFFAOYSA-N
MW296.25 g/mol
LogP1.74
Rot. Bonds5

About 4-cyano-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide

4-cyano-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide (PubChem CID 103577915) has the molecular formula C10H8F4N2O2S and a molecular weight of 296.25 g/mol. Its IUPAC name is 4-cyano-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide
PubChem CID103577915
Molecular FormulaC10H8F4N2O2S
Molecular Weight296.25 g/mol
Exact Mass296.02
IUPAC Name4-cyano-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCC(F)(F)C(F)F)cc1
InChIInChI=1S/C10H8F4N2O2S/c11-9(12)10(13,14)6-16-19(17,18)8-3-1-7(5-15)2-4-8/h1-4,9,16H,6H2
InChIKeyWDZBUYNEBYCIEQ-UHFFFAOYSA-N
XLogP1.74
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2,2,3,3-tetrafluoropropylsulfamoyl)benzenesulfonyl chloride
CID 106292510
4-(ethylaminomethyl)-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide
CID 106294662
N-(3-chloropropyl)-4-cyanobenzenesulfonamide
CID 43133775
2-[(4-cyanophenyl)sulfonylamino]acetamide
CID 4844985
N-butyl-4-cyanobenzenesulfonamide
CID 3555489
3-(2,2,3,3-tetrafluoropropylsulfamoyl)benzoic acid
CID 106290548
4-cyano-N-(3-methyl-2-oxobutyl)benzenesulfonamide
CID 64996357
N-[(1-aminocyclobutyl)methyl]-4-cyanobenzenesulfonamide
CID 113411790
N-(2-tert-butylsulfanylethyl)-4-cyanobenzenesulfonamide
CID 2805758
4-cyano-N-(3-methoxy-2-methylpropyl)benzenesulfonamide
CID 47429866
N-[(1-aminocyclohexyl)methyl]-4-cyanobenzenesulfonamide
CID 43598191
4-cyano-N-pent-4-ynylbenzenesulfonamide
CID 103698045

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide?
The IUPAC name of 4-cyano-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide (CID 103577915) is 4-cyano-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide?
The canonical SMILES for 4-cyano-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide is N#Cc1ccc(S(=O)(=O)NCC(F)(F)C(F)F)cc1.
What is the InChIKey of 4-cyano-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide?
The InChIKey is WDZBUYNEBYCIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4N2O2S/c11-9(12)10(13,14)6-16-19(17,18)8-3-1-7(5-15)2-4-8/h1-4,9,16H,6H2.
What are the key properties of 4-cyano-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide?
4-cyano-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide has a molecular weight of 296.25 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide is sourced from PubChem (CID 103577915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).