N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-phenylbenzenesulfonamide

C20H15F4NO2S — CID 3778780

IUPACN-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-phenylbenzenesulfonamide
SMILESO=S(=O)(NCc1cc(C(F)(F)F)ccc1F)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H15F4NO2S/c21-19-11-8-17(20(22,23)24)12-16(19)13-25-28(26,27)18-9-6-15(7-10-18)14-4-2-1-3-5-14/h1-12,25H,13H2
InChIKeyPFHVWKMFPSJGPK-UHFFFAOYSA-N
MW409.40 g/mol
LogP4.99
Rot. Bonds5

About N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-phenylbenzenesulfonamide

N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-phenylbenzenesulfonamide (PubChem CID 3778780) has the molecular formula C20H15F4NO2S and a molecular weight of 409.40 g/mol. Its IUPAC name is N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-phenylbenzenesulfonamide
PubChem CID3778780
Molecular FormulaC20H15F4NO2S
Molecular Weight409.40 g/mol
Exact Mass409.08
IUPAC NameN-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-phenylbenzenesulfonamide
SMILESO=S(=O)(NCc1cc(C(F)(F)F)ccc1F)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H15F4NO2S/c21-19-11-8-17(20(22,23)24)12-16(19)13-25-28(26,27)18-9-6-15(7-10-18)14-4-2-1-3-5-14/h1-12,25H,13H2
InChIKeyPFHVWKMFPSJGPK-UHFFFAOYSA-N
XLogP4.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 3781688
N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-phenylbenzenesulfonamide
CID 5156507
2,4-difluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3821577
N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 3543365
N-fluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 143092544
N-[(2-chloro-3,6-difluorophenyl)methyl]-4-phenylbenzenesulfonamide
CID 3266947
N-[2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 9301017
N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]aniline
CID 79032953
4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 3734615
4-fluoro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]-3-methylbenzenesulfonamide
CID 121085734
4-chloro-N-[(2,5-difluorophenyl)methyl]benzenesulfonamide
CID 110780979
3,4-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3520155

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-phenylbenzenesulfonamide?
The IUPAC name of N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-phenylbenzenesulfonamide (CID 3778780) is N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-phenylbenzenesulfonamide?
The canonical SMILES for N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-phenylbenzenesulfonamide is O=S(=O)(NCc1cc(C(F)(F)F)ccc1F)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-phenylbenzenesulfonamide?
The InChIKey is PFHVWKMFPSJGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4NO2S/c21-19-11-8-17(20(22,23)24)12-16(19)13-25-28(26,27)18-9-6-15(7-10-18)14-4-2-1-3-5-14/h1-12,25H,13H2.
What are the key properties of N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-phenylbenzenesulfonamide?
N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-phenylbenzenesulfonamide has a molecular weight of 409.40 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-phenylbenzenesulfonamide is sourced from PubChem (CID 3778780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).