4-ethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide

C16H16F3NO3S — CID 3869376

IUPAC4-ethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2ccccc2OC(F)(F)F)cc1
InChIInChI=1S/C16H16F3NO3S/c1-2-12-7-9-14(10-8-12)24(21,22)20-11-13-5-3-4-6-15(13)23-16(17,18)19/h3-10,20H,2,11H2,1H3
InChIKeyQEVHKLALFGRXHE-UHFFFAOYSA-N
MW359.37 g/mol
LogP3.63
Rot. Bonds6

About 4-ethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide

4-ethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide (PubChem CID 3869376) has the molecular formula C16H16F3NO3S and a molecular weight of 359.37 g/mol. Its IUPAC name is 4-ethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
PubChem CID3869376
Molecular FormulaC16H16F3NO3S
Molecular Weight359.37 g/mol
Exact Mass359.08
IUPAC Name4-ethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2ccccc2OC(F)(F)F)cc1
InChIInChI=1S/C16H16F3NO3S/c1-2-12-7-9-14(10-8-12)24(21,22)20-11-13-5-3-4-6-15(13)23-16(17,18)19/h3-10,20H,2,11H2,1H3
InChIKeyQEVHKLALFGRXHE-UHFFFAOYSA-N
XLogP3.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N,4-N-diethyl-1-N-[[2-(trifluoromethoxy)phenyl]methyl]benzene-1,4-disulfonamide
CID 24556290
4-[[2-(trifluoromethoxy)phenyl]methylsulfamoyl]benzamide
CID 46657919
4-ethyl-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 3503977
4-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]benzenesulfonamide
CID 110446090
N-[[2-(2-hydroxypropoxy)phenyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 164862161
3-bromo-N-[[2-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 3859291
1-(pyridin-4-ylmethyl)-3-[4-[[2-(trifluoromethoxy)phenyl]methylsulfamoyl]phenyl]urea
CID 135223136
1-(pyridin-4-ylmethyl)-3-[4-[[2-(trifluoromethoxy)phenyl]methylsulfamoyl]phenyl]thiourea
CID 175587630
4-methoxy-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]benzenesulfonamide
CID 110445902
4-(bromomethyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 65481384
4-(chloromethyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 172793035
ethane;1-ethyl-2-(trifluoromethoxy)benzene
CID 177219375

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide (CID 3869376) is 4-ethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide is CCc1ccc(S(=O)(=O)NCc2ccccc2OC(F)(F)F)cc1.
What is the InChIKey of 4-ethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
The InChIKey is QEVHKLALFGRXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO3S/c1-2-12-7-9-14(10-8-12)24(21,22)20-11-13-5-3-4-6-15(13)23-16(17,18)19/h3-10,20H,2,11H2,1H3.
What are the key properties of 4-ethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
4-ethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide has a molecular weight of 359.37 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 3869376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).