2,3,5,6-tetrafluoro-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide

C12H9F4NO4S — CID 18191791

IUPAC2,3,5,6-tetrafluoro-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide
SMILESCOc1c(F)c(F)c(S(=O)(=O)NCc2ccco2)c(F)c1F
InChIInChI=1S/C12H9F4NO4S/c1-20-11-7(13)9(15)12(10(16)8(11)14)22(18,19)17-5-6-3-2-4-21-6/h2-4,17H,5H2,1H3
InChIKeyTXVAHJVIQBTBDX-UHFFFAOYSA-N
MW339.27 g/mol
LogP2.32
Rot. Bonds5

About 2,3,5,6-tetrafluoro-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide

2,3,5,6-tetrafluoro-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide (PubChem CID 18191791) has the molecular formula C12H9F4NO4S and a molecular weight of 339.27 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide
PubChem CID18191791
Molecular FormulaC12H9F4NO4S
Molecular Weight339.27 g/mol
Exact Mass339.02
IUPAC Name2,3,5,6-tetrafluoro-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide
SMILESCOc1c(F)c(F)c(S(=O)(=O)NCc2ccco2)c(F)c1F
InChIInChI=1S/C12H9F4NO4S/c1-20-11-7(13)9(15)12(10(16)8(11)14)22(18,19)17-5-6-3-2-4-21-6/h2-4,17H,5H2,1H3
InChIKeyTXVAHJVIQBTBDX-UHFFFAOYSA-N
XLogP2.32
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(furan-2-ylmethyl)-2,4,6-trimethoxybenzenesulfonamide
CID 110759282
2,3,5,6-tetrafluoro-N-(furan-2-ylmethylcarbamothioyl)-4-methoxybenzamide
CID 17100625
5-chloro-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide
CID 686051
2,3-difluoro-N-(furan-2-ylmethyl)-5-(methylaminomethyl)benzenesulfonamide
CID 105120080
2,3,5,6-tetrafluoro-4-methoxy-N-prop-2-ynylbenzenesulfonamide
CID 18191895
4-bromo-2,6-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 26944366
3-ethoxy-4-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 934514
3-amino-5-chloro-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 103050157
N-(furan-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 2744497
4-(furan-2-ylmethylsulfamoyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 55709322
5-acetyl-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide
CID 39445497
methyl 5-(furan-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylate
CID 2810312

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide?
The IUPAC name of 2,3,5,6-tetrafluoro-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide (CID 18191791) is 2,3,5,6-tetrafluoro-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 2,3,5,6-tetrafluoro-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide is COc1c(F)c(F)c(S(=O)(=O)NCc2ccco2)c(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide?
The InChIKey is TXVAHJVIQBTBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F4NO4S/c1-20-11-7(13)9(15)12(10(16)8(11)14)22(18,19)17-5-6-3-2-4-21-6/h2-4,17H,5H2,1H3.
What are the key properties of 2,3,5,6-tetrafluoro-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide?
2,3,5,6-tetrafluoro-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide has a molecular weight of 339.27 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 18191791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).