N-[[2-(difluoromethoxy)phenyl]methyl]-4-(trifluoromethyl)benzenesulfonamide

C15H12F5NO3S — CID 3551979

IUPACN-[[2-(difluoromethoxy)phenyl]methyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1OC(F)F)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H12F5NO3S/c16-14(17)24-13-4-2-1-3-10(13)9-21-25(22,23)12-7-5-11(6-8-12)15(18,19)20/h1-8,14,21H,9H2
InChIKeyUNEVHRTWHDCZLN-UHFFFAOYSA-N
MW381.32 g/mol
LogP3.79
Rot. Bonds6

About N-[[2-(difluoromethoxy)phenyl]methyl]-4-(trifluoromethyl)benzenesulfonamide

N-[[2-(difluoromethoxy)phenyl]methyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 3551979) has the molecular formula C15H12F5NO3S and a molecular weight of 381.32 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID3551979
Molecular FormulaC15H12F5NO3S
Molecular Weight381.32 g/mol
Exact Mass381.05
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1OC(F)F)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H12F5NO3S/c16-14(17)24-13-4-2-1-3-10(13)9-21-25(22,23)12-7-5-11(6-8-12)15(18,19)20/h1-8,14,21H,9H2
InChIKeyUNEVHRTWHDCZLN-UHFFFAOYSA-N
XLogP3.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.32
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylbenzenesulfonamide
CID 3449670
N-[2-chloro-4-[[2-(difluoromethoxy)phenyl]methylsulfamoyl]phenyl]acetamide
CID 3806370
N-[[2-(difluoromethoxy)phenyl]methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 60912231
4-[[2-(trifluoromethoxy)phenyl]methylsulfamoyl]benzamide
CID 46657919
4-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]benzenesulfonamide
CID 110446090
4-ethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 3869376
N-[2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 9301017
N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-phenylbenzenesulfonamide
CID 3778780
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90598155
N-(phenoxymethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 70132879
4-(benzenesulfonamido)-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide
CID 30254086
N-[[2-(2-hydroxypropoxy)phenyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 164862161

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-4-(trifluoromethyl)benzenesulfonamide (CID 3551979) is N-[[2-(difluoromethoxy)phenyl]methyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]-4-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCc1ccccc1OC(F)F)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is UNEVHRTWHDCZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F5NO3S/c16-14(17)24-13-4-2-1-3-10(13)9-21-25(22,23)12-7-5-11(6-8-12)15(18,19)20/h1-8,14,21H,9H2.
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]-4-(trifluoromethyl)benzenesulfonamide?
N-[[2-(difluoromethoxy)phenyl]methyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 381.32 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)phenyl]methyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 3551979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).