2,4-difluoro-N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]benzenesulfonamide

C18H16F2N2O3S — CID 166521361

IUPAC2,4-difluoro-N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]benzenesulfonamide
SMILESCNCc1ccc(-c2ccco2)c(NS(=O)(=O)c2ccc(F)cc2F)c1
InChIInChI=1S/C18H16F2N2O3S/c1-21-11-12-4-6-14(17-3-2-8-25-17)16(9-12)22-26(23,24)18-7-5-13(19)10-15(18)20/h2-10,21-22H,11H2,1H3
InChIKeyYWTNSRZLGFXFNG-UHFFFAOYSA-N
MW378.40 g/mol
LogP3.74
Rot. Bonds6

About 2,4-difluoro-N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]benzenesulfonamide

2,4-difluoro-N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]benzenesulfonamide (PubChem CID 166521361) has the molecular formula C18H16F2N2O3S and a molecular weight of 378.40 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]benzenesulfonamide
PubChem CID166521361
Molecular FormulaC18H16F2N2O3S
Molecular Weight378.40 g/mol
Exact Mass378.08
IUPAC Name2,4-difluoro-N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]benzenesulfonamide
SMILESCNCc1ccc(-c2ccco2)c(NS(=O)(=O)c2ccc(F)cc2F)c1
InChIInChI=1S/C18H16F2N2O3S/c1-21-11-12-4-6-14(17-3-2-8-25-17)16(9-12)22-26(23,24)18-7-5-13(19)10-15(18)20/h2-10,21-22H,11H2,1H3
InChIKeyYWTNSRZLGFXFNG-UHFFFAOYSA-N
XLogP3.74
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]benzenesulfonamide
CID 166521435
N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]-1-methylimidazole-4-sulfonamide
CID 166521432
N-(2,4-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 3312178
2-fluoro-N-(3-iodophenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 106029453
N-[4-(aminomethyl)-2-(furan-2-yl)phenyl]-4-fluorobenzenesulfonamide
CID 166521368
2-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 79179197
2,4-difluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 5020613
2,4-difluoro-N-[2-(hydroxymethyl)-4-methylphenyl]benzenesulfonamide
CID 3828753
2-fluoro-4-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 106088068
2-fluoro-4-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide
CID 106033482
2-fluoro-4-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 79190978
2,4-difluoro-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide
CID 22774544

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]benzenesulfonamide (CID 166521361) is 2,4-difluoro-N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]benzenesulfonamide is CNCc1ccc(-c2ccco2)c(NS(=O)(=O)c2ccc(F)cc2F)c1.
What is the InChIKey of 2,4-difluoro-N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]benzenesulfonamide?
The InChIKey is YWTNSRZLGFXFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O3S/c1-21-11-12-4-6-14(17-3-2-8-25-17)16(9-12)22-26(23,24)18-7-5-13(19)10-15(18)20/h2-10,21-22H,11H2,1H3.
What are the key properties of 2,4-difluoro-N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]benzenesulfonamide?
2,4-difluoro-N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]benzenesulfonamide has a molecular weight of 378.40 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-(furan-2-yl)-5-(methylaminomethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 166521361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).