N-(3-ethoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide

C15H14F3NO4S — CID 60534149

IUPACN-(3-ethoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESCCOc1cccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C15H14F3NO4S/c1-2-22-12-7-5-6-11(10-12)19-24(20,21)14-9-4-3-8-13(14)23-15(16,17)18/h3-10,19H,2H2,1H3
InChIKeyILGBZFOKTPMKSX-UHFFFAOYSA-N
MW361.34 g/mol
LogP3.78
Rot. Bonds6

About N-(3-ethoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide

N-(3-ethoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 60534149) has the molecular formula C15H14F3NO4S and a molecular weight of 361.34 g/mol. Its IUPAC name is N-(3-ethoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-ethoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID60534149
Molecular FormulaC15H14F3NO4S
Molecular Weight361.34 g/mol
Exact Mass361.06
IUPAC NameN-(3-ethoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESCCOc1cccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C15H14F3NO4S/c1-2-22-12-7-5-6-11(10-12)19-24(20,21)14-9-4-3-8-13(14)23-15(16,17)18/h3-10,19H,2H2,1H3
InChIKeyILGBZFOKTPMKSX-UHFFFAOYSA-N
XLogP3.78
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.34
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethoxyphenyl)-2-hydroxybenzenesulfonamide
CID 81241070
2-ethoxy-4-(methylamino)-N-[3-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 170347385
2-ethoxy-4-nitro-N-[3-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 169204758
N-(2,6-diethylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 112808737
1-phenyl-3-[3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]urea
CID 25348337
N-[3-[2-[4-[(Z)-hydrazinylidenemethyl]phenyl]ethoxy]phenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 87903048
methyl 2-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzoate
CID 3565491
N-[3-(pyrazol-1-ylmethyl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 38944467
N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-1-hydroxycyclopropane-1-carboxamide
CID 169307922
N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-3,4-dihydroxybutanamide
CID 169307679
N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-(2-hydroxyethyl)-4-methylpentanamide
CID 169307929
(2R)-N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-(hydroxymethyl)-3-methylbutanamide
CID 169204494

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(3-ethoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide (CID 60534149) is N-(3-ethoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(3-ethoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(3-ethoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide is CCOc1cccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)c1.
What is the InChIKey of N-(3-ethoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is ILGBZFOKTPMKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO4S/c1-2-22-12-7-5-6-11(10-12)19-24(20,21)14-9-4-3-8-13(14)23-15(16,17)18/h3-10,19H,2H2,1H3.
What are the key properties of N-(3-ethoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide?
N-(3-ethoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 361.34 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 60534149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).