N-(2-fluorophenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide

C14H8F7NO2S — CID 51557585

IUPACN-(2-fluorophenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H8F7NO2S/c15-11-3-1-2-4-12(11)22-25(23,24)10-6-8(13(16,17)18)5-9(7-10)14(19,20)21/h1-7,22H
InChIKeyXKATVVSHPASASA-UHFFFAOYSA-N
MW387.28 g/mol
LogP4.66
Rot. Bonds3

About N-(2-fluorophenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide

N-(2-fluorophenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide (PubChem CID 51557585) has the molecular formula C14H8F7NO2S and a molecular weight of 387.28 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
PubChem CID51557585
Molecular FormulaC14H8F7NO2S
Molecular Weight387.28 g/mol
Exact Mass387.02
IUPAC NameN-(2-fluorophenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H8F7NO2S/c15-11-3-1-2-4-12(11)22-25(23,24)10-6-8(13(16,17)18)5-9(7-10)14(19,20)21/h1-7,22H
InChIKeyXKATVVSHPASASA-UHFFFAOYSA-N
XLogP4.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-formylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 46918837
N-(3-bromophenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 3372952
N-(2-fluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 17377370
N-[4-chloro-2-(trifluoromethoxy)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 162366531
N-isoquinolin-1-yl-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 74228494
3-amino-N-(2-fluorophenyl)-4,5-dimethylbenzenesulfonamide
CID 28536061
2,3,4,5,6-pentafluoro-N-(2-fluorophenyl)benzenesulfonamide
CID 134093089
N-(4-methylsulfonylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 26950039
N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 711138
N-(2-methylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 14536122
5-chloro-2-fluoro-N-(2-fluorophenyl)benzenesulfonamide
CID 110759379
3-amino-4-ethyl-N-(2-fluorophenyl)benzenesulfonamide
CID 43257631

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2-fluorophenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide (CID 51557585) is N-(2-fluorophenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-fluorophenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2-fluorophenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1ccccc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-(2-fluorophenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide?
The InChIKey is XKATVVSHPASASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F7NO2S/c15-11-3-1-2-4-12(11)22-25(23,24)10-6-8(13(16,17)18)5-9(7-10)14(19,20)21/h1-7,22H.
What are the key properties of N-(2-fluorophenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide?
N-(2-fluorophenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide has a molecular weight of 387.28 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 51557585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).