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

C13H7F3N2O2S — CID 2579215

IUPAC2-cyano-N-(2,3,4-trifluorophenyl)benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C13H7F3N2O2S/c14-9-5-6-10(13(16)12(9)15)18-21(19,20)11-4-2-1-3-8(11)7-17/h1-6,18H
InChIKeyNFPQWAOGPOHOJR-UHFFFAOYSA-N
MW312.27 g/mol
LogP2.78
Rot. Bonds3

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

2-cyano-N-(2,3,4-trifluorophenyl)benzenesulfonamide (PubChem CID 2579215) has the molecular formula C13H7F3N2O2S and a molecular weight of 312.27 g/mol. Its IUPAC name is 2-cyano-N-(2,3,4-trifluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-(2,3,4-trifluorophenyl)benzenesulfonamide
PubChem CID2579215
Molecular FormulaC13H7F3N2O2S
Molecular Weight312.27 g/mol
Exact Mass312.02
IUPAC Name2-cyano-N-(2,3,4-trifluorophenyl)benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C13H7F3N2O2S/c14-9-5-6-10(13(16)12(9)15)18-21(19,20)11-4-2-1-3-8(11)7-17/h1-6,18H
InChIKeyNFPQWAOGPOHOJR-UHFFFAOYSA-N
XLogP2.78
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4-fluorophenyl)-2-cyanobenzenesulfonamide
CID 28522075
2-cyano-N-(2,3,4-trifluorophenyl)pyridine-3-sulfonamide
CID 106595373
N-(2-chloro-4-fluorophenyl)-2-cyanobenzenesulfonamide
CID 26969917
2-(methylamino)-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 62149736
N-(2-cyano-4-fluorophenyl)-2,3-difluorobenzenesulfonamide
CID 75499452
2,3-dichloro-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 2093570
2-cyano-N-(2-fluoro-6-methylphenyl)benzenesulfonamide
CID 104705303
N-(2-cyano-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 82015576
2-cyano-N-(2-phenylphenyl)benzenesulfonamide
CID 26979564
2-cyano-N-(2-phenoxyphenyl)benzenesulfonamide
CID 26980043
2-cyano-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
CID 110756477
2,5-difluoro-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 9235627

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,3,4-trifluorophenyl)benzenesulfonamide?
The IUPAC name of 2-cyano-N-(2,3,4-trifluorophenyl)benzenesulfonamide (CID 2579215) is 2-cyano-N-(2,3,4-trifluorophenyl)benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-(2,3,4-trifluorophenyl)benzenesulfonamide?
The canonical SMILES for 2-cyano-N-(2,3,4-trifluorophenyl)benzenesulfonamide is N#Cc1ccccc1S(=O)(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-cyano-N-(2,3,4-trifluorophenyl)benzenesulfonamide?
The InChIKey is NFPQWAOGPOHOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N2O2S/c14-9-5-6-10(13(16)12(9)15)18-21(19,20)11-4-2-1-3-8(11)7-17/h1-6,18H.
What are the key properties of 2-cyano-N-(2,3,4-trifluorophenyl)benzenesulfonamide?
2-cyano-N-(2,3,4-trifluorophenyl)benzenesulfonamide has a molecular weight of 312.27 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,3,4-trifluorophenyl)benzenesulfonamide is sourced from PubChem (CID 2579215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).