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

C17H17F2NO4S — CID 55703432

IUPAC4-acetyl-N-[1-[3-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NC(C)c2cccc(OC(F)F)c2)cc1
InChIInChI=1S/C17H17F2NO4S/c1-11(14-4-3-5-15(10-14)24-17(18)19)20-25(22,23)16-8-6-13(7-9-16)12(2)21/h3-11,17,20H,1-2H3
InChIKeyPNSDNTLURBUJEP-UHFFFAOYSA-N
MW369.39 g/mol
LogP3.53
Rot. Bonds7

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

4-acetyl-N-[1-[3-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide (PubChem CID 55703432) has the molecular formula C17H17F2NO4S and a molecular weight of 369.39 g/mol. Its IUPAC name is 4-acetyl-N-[1-[3-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[1-[3-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide
PubChem CID55703432
Molecular FormulaC17H17F2NO4S
Molecular Weight369.39 g/mol
Exact Mass369.08
IUPAC Name4-acetyl-N-[1-[3-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NC(C)c2cccc(OC(F)F)c2)cc1
InChIInChI=1S/C17H17F2NO4S/c1-11(14-4-3-5-15(10-14)24-17(18)19)20-25(22,23)16-8-6-13(7-9-16)12(2)21/h3-11,17,20H,1-2H3
InChIKeyPNSDNTLURBUJEP-UHFFFAOYSA-N
XLogP3.53
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[1-[3-(difluoromethoxy)phenyl]ethylsulfamoyl]benzoate
CID 55703531
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-fluorobenzenesulfonamide
CID 47034978
4-acetyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 2416651
1-acetyl-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,3-dihydroindole-5-sulfonamide
CID 55703530
2-chloro-N-[1-[3-(difluoromethoxy)phenyl]ethyl]ethanesulfonamide
CID 107651305
2-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide
CID 47034973
4-amino-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 61126470
N-[1-(3-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 3341843
4-ethyl-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 22201289
N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-3-methylbut-2-enamide
CID 94117441
ethyl 4-[1-(3-acetamidophenyl)ethylsulfamoyl]benzoate
CID 55598192
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-(trifluoromethyl)pyridine-2-sulfonamide
CID 167823629

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[1-[3-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[1-[3-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide (CID 55703432) is 4-acetyl-N-[1-[3-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[1-[3-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[1-[3-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NC(C)c2cccc(OC(F)F)c2)cc1.
What is the InChIKey of 4-acetyl-N-[1-[3-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide?
The InChIKey is PNSDNTLURBUJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO4S/c1-11(14-4-3-5-15(10-14)24-17(18)19)20-25(22,23)16-8-6-13(7-9-16)12(2)21/h3-11,17,20H,1-2H3.
What are the key properties of 4-acetyl-N-[1-[3-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide?
4-acetyl-N-[1-[3-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide has a molecular weight of 369.39 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[1-[3-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 55703432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).