3-fluoro-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide

C14H10F5NO2S — CID 3857699

IUPAC3-fluoro-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cccc(C(F)(F)F)c1F)c1cccc(F)c1
InChIInChI=1S/C14H10F5NO2S/c15-10-4-2-5-11(7-10)23(21,22)20-8-9-3-1-6-12(13(9)16)14(17,18)19/h1-7,20H,8H2
InChIKeyOAVVRYVIFDEGOT-UHFFFAOYSA-N
MW351.30 g/mol
LogP3.46
Rot. Bonds4

About 3-fluoro-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide

3-fluoro-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 3857699) has the molecular formula C14H10F5NO2S and a molecular weight of 351.30 g/mol. Its IUPAC name is 3-fluoro-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
PubChem CID3857699
Molecular FormulaC14H10F5NO2S
Molecular Weight351.30 g/mol
Exact Mass351.04
IUPAC Name3-fluoro-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cccc(C(F)(F)F)c1F)c1cccc(F)c1
InChIInChI=1S/C14H10F5NO2S/c15-10-4-2-5-11(7-10)23(21,22)20-8-9-3-1-6-12(13(9)16)14(17,18)19/h1-7,20H,8H2
InChIKeyOAVVRYVIFDEGOT-UHFFFAOYSA-N
XLogP3.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.30
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-3-fluorobenzenesulfonamide
CID 3851131
3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 30170522
3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 25046873
3,5-bis(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3552945
4-bromo-N-[(3-fluorophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 98000551
N-(2,2-difluoro-3-hydroxypropyl)-3-fluorobenzenesulfonamide
CID 104858703
N-[(3-chloro-2,6-difluorophenyl)methyl]-3-fluorobenzenesulfonamide
CID 5179910
N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 3781688
3-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
CID 103834023
3-fluoro-N-propylbenzenesulfonamide
CID 43212857
N-[(3,5-dichlorophenyl)methyl]-3-fluorobenzenesulfonamide
CID 3858076
3-chloro-N-[(2,5-difluorophenyl)methyl]benzenesulfonamide
CID 110781006

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide (CID 3857699) is 3-fluoro-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide is O=S(=O)(NCc1cccc(C(F)(F)F)c1F)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is OAVVRYVIFDEGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F5NO2S/c15-10-4-2-5-11(7-10)23(21,22)20-8-9-3-1-6-12(13(9)16)14(17,18)19/h1-7,20H,8H2.
What are the key properties of 3-fluoro-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
3-fluoro-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 351.30 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 3857699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).