4-[2-ethyl-4-(4-fluorophenyl)sulfonyl-2-(2-methoxyphenyl)-3H-furan-5-yl]-N'-hydroxybenzenecarboximidamide

C26H25FN2O5S — CID 118717278

IUPAC4-[2-ethyl-4-(4-fluorophenyl)sulfonyl-2-(2-methoxyphenyl)-3H-furan-5-yl]-N'-hydroxybenzenecarboximidamide
SMILESCCC1(c2ccccc2OC)CC(S(=O)(=O)c2ccc(F)cc2)=C(c2ccc(/C(N)=N\O)cc2)O1
InChIInChI=1S/C26H25FN2O5S/c1-3-26(21-6-4-5-7-22(21)33-2)16-23(35(31,32)20-14-12-19(27)13-15-20)24(34-26)17-8-10-18(11-9-17)25(28)29-30/h4-15,30H,3,16H2,1-2H3,(H2,28,29)
InChIKeyCYLWAVDADYOQMF-UHFFFAOYSA-N
MW496.56 g/mol
LogP4.80
Rot. Bonds7

About 4-[2-ethyl-4-(4-fluorophenyl)sulfonyl-2-(2-methoxyphenyl)-3H-furan-5-yl]-N'-hydroxybenzenecarboximidamide

4-[2-ethyl-4-(4-fluorophenyl)sulfonyl-2-(2-methoxyphenyl)-3H-furan-5-yl]-N'-hydroxybenzenecarboximidamide (PubChem CID 118717278) has the molecular formula C26H25FN2O5S and a molecular weight of 496.56 g/mol. Its IUPAC name is 4-[2-ethyl-4-(4-fluorophenyl)sulfonyl-2-(2-methoxyphenyl)-3H-furan-5-yl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[2-ethyl-4-(4-fluorophenyl)sulfonyl-2-(2-methoxyphenyl)-3H-furan-5-yl]-N'-hydroxybenzenecarboximidamide
PubChem CID118717278
Molecular FormulaC26H25FN2O5S
Molecular Weight496.56 g/mol
Exact Mass496.15
IUPAC Name4-[2-ethyl-4-(4-fluorophenyl)sulfonyl-2-(2-methoxyphenyl)-3H-furan-5-yl]-N'-hydroxybenzenecarboximidamide
SMILESCCC1(c2ccccc2OC)CC(S(=O)(=O)c2ccc(F)cc2)=C(c2ccc(/C(N)=N\O)cc2)O1
InChIInChI=1S/C26H25FN2O5S/c1-3-26(21-6-4-5-7-22(21)33-2)16-23(35(31,32)20-14-12-19(27)13-15-20)24(34-26)17-8-10-18(11-9-17)25(28)29-30/h4-15,30H,3,16H2,1-2H3,(H2,28,29)
InChIKeyCYLWAVDADYOQMF-UHFFFAOYSA-N
XLogP4.80
TPSA111.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.56
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[4-(4-fluorophenyl)sulfonyl-2-[4-(furan-2-yl)phenyl]-2-methyl-3H-furan-5-yl]-N'-hydroxybenzenecarboximidamide
CID 118717341
4-[4-(benzenesulfonyl)-2,2-diphenyl-3H-furan-5-yl]-N'-hydroxybenzenecarboximidamide
CID 75968171
N'-hydroxy-4-[4-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]sulfonyl-2,2-diphenyl-3H-furan-5-yl]anilino]benzenecarboximidamide
CID 52949717
N'-hydroxy-4-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide
CID 135407879
N'-hydroxy-4-[(2-methoxyphenyl)methoxy]benzenecarboximidamide
CID 76917582
ethyl 4-(4-chlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperidine-1-carboxylate
CID 11351105
(4aS,8aS)-2-(4-fluorophenyl)-5,5,8a-trimethyl-3-(4-methylphenyl)sulfonyl-4a,6,7,8-tetrahydro-4H-chromene
CID 132543922
4-[[1-(2-methoxyphenyl)cyclopentyl]methylsulfamoyl]benzamide
CID 86829566
2,2-dimethyl-5-(4-methylphenyl)sulfonyl-6-phenyl-3,4-dihydropyran
CID 132838054
4-(2-ethylsulfonylethoxy)-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 61058058
2-[(2,6-dimethoxyphenyl)methyl]-1-[5-(4-fluorophenyl)-2-pyridinyl]guanidine
CID 67532325
N'-(4-methylphenyl)sulfonyl-4-phenylbenzenecarboximidamide
CID 171485898

Frequently Asked Questions

What is the IUPAC name of 4-[2-ethyl-4-(4-fluorophenyl)sulfonyl-2-(2-methoxyphenyl)-3H-furan-5-yl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[2-ethyl-4-(4-fluorophenyl)sulfonyl-2-(2-methoxyphenyl)-3H-furan-5-yl]-N'-hydroxybenzenecarboximidamide (CID 118717278) is 4-[2-ethyl-4-(4-fluorophenyl)sulfonyl-2-(2-methoxyphenyl)-3H-furan-5-yl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[2-ethyl-4-(4-fluorophenyl)sulfonyl-2-(2-methoxyphenyl)-3H-furan-5-yl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[2-ethyl-4-(4-fluorophenyl)sulfonyl-2-(2-methoxyphenyl)-3H-furan-5-yl]-N'-hydroxybenzenecarboximidamide is CCC1(c2ccccc2OC)CC(S(=O)(=O)c2ccc(F)cc2)=C(c2ccc(/C(N)=N\O)cc2)O1.
What is the InChIKey of 4-[2-ethyl-4-(4-fluorophenyl)sulfonyl-2-(2-methoxyphenyl)-3H-furan-5-yl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is CYLWAVDADYOQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN2O5S/c1-3-26(21-6-4-5-7-22(21)33-2)16-23(35(31,32)20-14-12-19(27)13-15-20)24(34-26)17-8-10-18(11-9-17)25(28)29-30/h4-15,30H,3,16H2,1-2H3,(H2,28,29).
What are the key properties of 4-[2-ethyl-4-(4-fluorophenyl)sulfonyl-2-(2-methoxyphenyl)-3H-furan-5-yl]-N'-hydroxybenzenecarboximidamide?
4-[2-ethyl-4-(4-fluorophenyl)sulfonyl-2-(2-methoxyphenyl)-3H-furan-5-yl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 496.56 g/mol, XLogP of 4.80, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-ethyl-4-(4-fluorophenyl)sulfonyl-2-(2-methoxyphenyl)-3H-furan-5-yl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 118717278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).