N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-fluorobenzenesulfonamide

C15H14F3NO3S — CID 47034978

IUPACN-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-fluorobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(F)cc1)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H14F3NO3S/c1-10(11-3-2-4-13(9-11)22-15(17)18)19-23(20,21)14-7-5-12(16)6-8-14/h2-10,15,19H,1H3
InChIKeyUYVPUZFKQNNHLU-UHFFFAOYSA-N
MW345.34 g/mol
LogP3.47
Rot. Bonds6

About N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-fluorobenzenesulfonamide

N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-fluorobenzenesulfonamide (PubChem CID 47034978) has the molecular formula C15H14F3NO3S and a molecular weight of 345.34 g/mol. Its IUPAC name is N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-fluorobenzenesulfonamide
PubChem CID47034978
Molecular FormulaC15H14F3NO3S
Molecular Weight345.34 g/mol
Exact Mass345.06
IUPAC NameN-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-fluorobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(F)cc1)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H14F3NO3S/c1-10(11-3-2-4-13(9-11)22-15(17)18)19-23(20,21)14-7-5-12(16)6-8-14/h2-10,15,19H,1H3
InChIKeyUYVPUZFKQNNHLU-UHFFFAOYSA-N
XLogP3.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-[1-[3-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide
CID 55703432
methyl 4-[1-[3-(difluoromethoxy)phenyl]ethylsulfamoyl]benzoate
CID 55703531
3-[1-[(4-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 51249256
2-chloro-N-[1-[3-(difluoromethoxy)phenyl]ethyl]ethanesulfonamide
CID 107651305
2-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide
CID 47034973
4-fluoro-N-[1-(3-pyrrol-1-ylphenyl)ethyl]benzenesulfonamide
CID 19581983
4-amino-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 61126470
1-acetyl-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,3-dihydroindole-5-sulfonamide
CID 55703530
N-[1-(3-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 3341843
4-ethyl-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 22201289
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-(trifluoromethyl)pyridine-2-sulfonamide
CID 167823629
4-fluoro-N-[1-(4-phenylphenyl)ethyl]benzenesulfonamide
CID 171777388

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-fluorobenzenesulfonamide (CID 47034978) is N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-fluorobenzenesulfonamide is CC(NS(=O)(=O)c1ccc(F)cc1)c1cccc(OC(F)F)c1.
What is the InChIKey of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-fluorobenzenesulfonamide?
The InChIKey is UYVPUZFKQNNHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO3S/c1-10(11-3-2-4-13(9-11)22-15(17)18)19-23(20,21)14-7-5-12(16)6-8-14/h2-10,15,19H,1H3.
What are the key properties of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-fluorobenzenesulfonamide?
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-fluorobenzenesulfonamide has a molecular weight of 345.34 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 47034978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).