N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-phenylbenzenesulfonamide

C20H15F4NO2S — CID 5156507

IUPACN-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-phenylbenzenesulfonamide
SMILESO=S(=O)(NCc1ccc(C(F)(F)F)c(F)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H15F4NO2S/c21-19-12-14(6-11-18(19)20(22,23)24)13-25-28(26,27)17-9-7-16(8-10-17)15-4-2-1-3-5-15/h1-12,25H,13H2
InChIKeyBYZHREFYCXTKAP-UHFFFAOYSA-N
MW409.40 g/mol
LogP4.99
Rot. Bonds5

About N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-phenylbenzenesulfonamide

N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-phenylbenzenesulfonamide (PubChem CID 5156507) has the molecular formula C20H15F4NO2S and a molecular weight of 409.40 g/mol. Its IUPAC name is N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-phenylbenzenesulfonamide
PubChem CID5156507
Molecular FormulaC20H15F4NO2S
Molecular Weight409.40 g/mol
Exact Mass409.08
IUPAC NameN-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-phenylbenzenesulfonamide
SMILESO=S(=O)(NCc1ccc(C(F)(F)F)c(F)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H15F4NO2S/c21-19-12-14(6-11-18(19)20(22,23)24)13-25-28(26,27)17-9-7-16(8-10-17)15-4-2-1-3-5-15/h1-12,25H,13H2
InChIKeyBYZHREFYCXTKAP-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-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 3770733
N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-phenylbenzenesulfonamide
CID 3778780
4-[3-[[[5-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]benzoic acid
CID 57497771
3-[4-[[[5-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]benzoic acid
CID 57497768
N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 3674738
N-[(3-chloro-4-fluorophenyl)methyl]benzenesulfonamide
CID 3752569
4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 3734615
tert-butyl 3-[4-[[[5-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]benzoate
CID 57497833
N-benzyl-4-fluorobenzenesulfonamide
CID 835474
N-[(2-chloro-3,6-difluorophenyl)methyl]-4-phenylbenzenesulfonamide
CID 3266947
4-bromo-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 5102695
4-[(tert-butylamino)methyl]-N-[(3,4-difluorophenyl)methyl]benzenesulfonamide
CID 59768398

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-phenylbenzenesulfonamide?
The IUPAC name of N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-phenylbenzenesulfonamide (CID 5156507) is N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-phenylbenzenesulfonamide?
The canonical SMILES for N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-phenylbenzenesulfonamide is O=S(=O)(NCc1ccc(C(F)(F)F)c(F)c1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-phenylbenzenesulfonamide?
The InChIKey is BYZHREFYCXTKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4NO2S/c21-19-12-14(6-11-18(19)20(22,23)24)13-25-28(26,27)17-9-7-16(8-10-17)15-4-2-1-3-5-15/h1-12,25H,13H2.
What are the key properties of N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-phenylbenzenesulfonamide?
N-[[3-fluoro-4-(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-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-phenylbenzenesulfonamide is sourced from PubChem (CID 5156507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).