2-fluoro-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzenesulfonamide

C14H12F4N2O4S2 — CID 26267865

IUPAC2-fluoro-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(NCC(F)(F)F)c1ccc(NS(=O)(=O)c2ccccc2F)cc1
InChIInChI=1S/C14H12F4N2O4S2/c15-12-3-1-2-4-13(12)26(23,24)20-10-5-7-11(8-6-10)25(21,22)19-9-14(16,17)18/h1-8,19-20H,9H2
InChIKeySPVFCBUEGNENKM-UHFFFAOYSA-N
MW412.39 g/mol
LogP2.47
Rot. Bonds6

About 2-fluoro-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzenesulfonamide

2-fluoro-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzenesulfonamide (PubChem CID 26267865) has the molecular formula C14H12F4N2O4S2 and a molecular weight of 412.39 g/mol. Its IUPAC name is 2-fluoro-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzenesulfonamide
PubChem CID26267865
Molecular FormulaC14H12F4N2O4S2
Molecular Weight412.39 g/mol
Exact Mass412.02
IUPAC Name2-fluoro-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(NCC(F)(F)F)c1ccc(NS(=O)(=O)c2ccccc2F)cc1
InChIInChI=1S/C14H12F4N2O4S2/c15-12-3-1-2-4-13(12)26(23,24)20-10-5-7-11(8-6-10)25(21,22)19-9-14(16,17)18/h1-8,19-20H,9H2
InChIKeySPVFCBUEGNENKM-UHFFFAOYSA-N
XLogP2.47
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.39
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzenesulfonamide
CID 26267887
3,4-dimethyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzenesulfonamide
CID 26267871
2-fluoro-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide
CID 47784131
4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 3734615
4-hydrazinyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 43454892
1-N-(2-amino-2-methylpropyl)-4-N-(2,2,2-trifluoroethyl)benzene-1,4-disulfonamide
CID 119988277
2-fluoro-N-[4-(methylaminomethyl)phenyl]benzenesulfonamide
CID 106911076
4-amino-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 4962703
4-hydroxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 43135522
4-(2,2,2-trifluoroethylsulfamoyl)benzenesulfonyl chloride
CID 43096777
N-[4-[(2S)-butan-2-yl]phenyl]-2-fluorobenzenesulfonamide
CID 2697045
4-[2-[4-[(2-fluorophenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68689846

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzenesulfonamide (CID 26267865) is 2-fluoro-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzenesulfonamide is O=S(=O)(NCC(F)(F)F)c1ccc(NS(=O)(=O)c2ccccc2F)cc1.
What is the InChIKey of 2-fluoro-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzenesulfonamide?
The InChIKey is SPVFCBUEGNENKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N2O4S2/c15-12-3-1-2-4-13(12)26(23,24)20-10-5-7-11(8-6-10)25(21,22)19-9-14(16,17)18/h1-8,19-20H,9H2.
What are the key properties of 2-fluoro-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzenesulfonamide?
2-fluoro-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzenesulfonamide has a molecular weight of 412.39 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 26267865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).