3,4-difluoro-N-(4-fluorophenyl)-N-(furan-2-ylmethyl)benzenesulfonamide

C17H12F3NO3S — CID 39877116

IUPAC3,4-difluoro-N-(4-fluorophenyl)-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(F)c(F)c1)N(Cc1ccco1)c1ccc(F)cc1
InChIInChI=1S/C17H12F3NO3S/c18-12-3-5-13(6-4-12)21(11-14-2-1-9-24-14)25(22,23)15-7-8-16(19)17(20)10-15/h1-10H,11H2
InChIKeyANAAWCNIPAULBO-UHFFFAOYSA-N
MW367.35 g/mol
LogP4.09
Rot. Bonds5

About 3,4-difluoro-N-(4-fluorophenyl)-N-(furan-2-ylmethyl)benzenesulfonamide

3,4-difluoro-N-(4-fluorophenyl)-N-(furan-2-ylmethyl)benzenesulfonamide (PubChem CID 39877116) has the molecular formula C17H12F3NO3S and a molecular weight of 367.35 g/mol. Its IUPAC name is 3,4-difluoro-N-(4-fluorophenyl)-N-(furan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-(4-fluorophenyl)-N-(furan-2-ylmethyl)benzenesulfonamide
PubChem CID39877116
Molecular FormulaC17H12F3NO3S
Molecular Weight367.35 g/mol
Exact Mass367.05
IUPAC Name3,4-difluoro-N-(4-fluorophenyl)-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(F)c(F)c1)N(Cc1ccco1)c1ccc(F)cc1
InChIInChI=1S/C17H12F3NO3S/c18-12-3-5-13(6-4-12)21(11-14-2-1-9-24-14)25(22,23)15-7-8-16(19)17(20)10-15/h1-10H,11H2
InChIKeyANAAWCNIPAULBO-UHFFFAOYSA-N
XLogP4.09
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide
CID 39877190
N-(furan-2-ylmethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide
CID 17458263
N-cyclopentyl-3,4-difluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 87032912
N-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 55676585
4-acetyl-N-(furan-2-ylmethyl)-N-phenylbenzenesulfonamide
CID 51307345
4-bromo-N-ethyl-3-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 103697234
N'-(3,4-difluorophenyl)-N'-(furan-2-ylmethyl)propane-1,3-diamine
CID 28771067
3-chloro-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 28534252
N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-4-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 154811074
5-(diethylsulfamoyl)-N-(2,4-difluorophenyl)-2-fluoro-N-(furan-2-ylmethyl)benzamide
CID 55888843
methyl 2-[(4-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetate
CID 50894270
6-[ethyl-(4-fluorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide
CID 4620966

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(4-fluorophenyl)-N-(furan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-(4-fluorophenyl)-N-(furan-2-ylmethyl)benzenesulfonamide (CID 39877116) is 3,4-difluoro-N-(4-fluorophenyl)-N-(furan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-(4-fluorophenyl)-N-(furan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-(4-fluorophenyl)-N-(furan-2-ylmethyl)benzenesulfonamide is O=S(=O)(c1ccc(F)c(F)c1)N(Cc1ccco1)c1ccc(F)cc1.
What is the InChIKey of 3,4-difluoro-N-(4-fluorophenyl)-N-(furan-2-ylmethyl)benzenesulfonamide?
The InChIKey is ANAAWCNIPAULBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NO3S/c18-12-3-5-13(6-4-12)21(11-14-2-1-9-24-14)25(22,23)15-7-8-16(19)17(20)10-15/h1-10H,11H2.
What are the key properties of 3,4-difluoro-N-(4-fluorophenyl)-N-(furan-2-ylmethyl)benzenesulfonamide?
3,4-difluoro-N-(4-fluorophenyl)-N-(furan-2-ylmethyl)benzenesulfonamide has a molecular weight of 367.35 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(4-fluorophenyl)-N-(furan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 39877116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).