4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C14H12F3NO2S — CID 3734615

IUPAC4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(F)(F)F)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C14H12F3NO2S/c15-14(16,17)10-18-21(19,20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,18H,10H2
InChIKeyHXYPHABOIVKTRB-UHFFFAOYSA-N
MW315.32 g/mol
LogP3.19
Rot. Bonds4

About 4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 3734615) has the molecular formula C14H12F3NO2S and a molecular weight of 315.32 g/mol. Its IUPAC name is 4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID3734615
Molecular FormulaC14H12F3NO2S
Molecular Weight315.32 g/mol
Exact Mass315.05
IUPAC Name4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(F)(F)F)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C14H12F3NO2S/c15-14(16,17)10-18-21(19,20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,18H,10H2
InChIKeyHXYPHABOIVKTRB-UHFFFAOYSA-N
XLogP3.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
1-N-(2-amino-2-methylpropyl)-4-N-(2,2,2-trifluoroethyl)benzene-1,4-disulfonamide
CID 119988277
4-hydrazinyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 43454892
N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-phenylbenzenesulfonamide
CID 4993242
N-(2-chloroethyl)-4-phenylbenzenesulfonamide
CID 162435603
2-fluoro-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzenesulfonamide
CID 26267865
2-[(4-phenylphenyl)sulfonylamino]acetate
CID 6953151
2-chloro-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzenesulfonamide
CID 26267887
1-N-[2-(ethylamino)ethyl]-4-N-(2,2,2-trifluoroethyl)benzene-1,4-disulfonamide
CID 119973745
N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-phenylbenzenesulfonamide
CID 3778780

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 3734615) is 4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is O=S(=O)(NCC(F)(F)F)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is HXYPHABOIVKTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2S/c15-14(16,17)10-18-21(19,20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,18H,10H2.
What are the key properties of 4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 315.32 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 3734615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).