3-(benzenesulfonylmethyl)-N-(4-fluorophenyl)furan-2-carboxamide

C18H14FNO4S — CID 34978340

IUPAC3-(benzenesulfonylmethyl)-N-(4-fluorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1occc1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H14FNO4S/c19-14-6-8-15(9-7-14)20-18(21)17-13(10-11-24-17)12-25(22,23)16-4-2-1-3-5-16/h1-11H,12H2,(H,20,21)
InChIKeyZRYLAFWZEIXZAM-UHFFFAOYSA-N
MW359.38 g/mol
LogP3.64
Rot. Bonds5

About 3-(benzenesulfonylmethyl)-N-(4-fluorophenyl)furan-2-carboxamide

3-(benzenesulfonylmethyl)-N-(4-fluorophenyl)furan-2-carboxamide (PubChem CID 34978340) has the molecular formula C18H14FNO4S and a molecular weight of 359.38 g/mol. Its IUPAC name is 3-(benzenesulfonylmethyl)-N-(4-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound Name3-(benzenesulfonylmethyl)-N-(4-fluorophenyl)furan-2-carboxamide
PubChem CID34978340
Molecular FormulaC18H14FNO4S
Molecular Weight359.38 g/mol
Exact Mass359.06
IUPAC Name3-(benzenesulfonylmethyl)-N-(4-fluorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1occc1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H14FNO4S/c19-14-6-8-15(9-7-14)20-18(21)17-13(10-11-24-17)12-25(22,23)16-4-2-1-3-5-16/h1-11H,12H2,(H,20,21)
InChIKeyZRYLAFWZEIXZAM-UHFFFAOYSA-N
XLogP3.64
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonylmethyl)-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide
CID 46692750
3-(benzenesulfonylmethyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 55532959
3-(benzenesulfonylmethyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]furan-2-carboxamide
CID 55711975
3-(benzenesulfonylmethyl)-N-(2-methyl-1,3-benzoxazol-6-yl)furan-2-carboxamide
CID 86923783
3-(benzenesulfonylmethyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]furan-2-carboxamide
CID 46672069
3-(benzenesulfonylmethyl)-N-(4-methyl-2-pyridinyl)furan-2-carboxamide
CID 51284345
3-(benzenesulfonylmethyl)-N-(3-chloro-2-methylphenyl)furan-2-carboxamide
CID 46664615
3-(benzenesulfonylmethyl)-N-butylfuran-2-carboxamide
CID 36711218
3-(benzenesulfonylmethyl)-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 37018546
3-(benzenesulfonylmethyl)-N-cyclooctylfuran-2-carboxamide
CID 51283677
methyl 3-[2-[3-[[3-(benzenesulfonylmethyl)furan-2-carbonyl]amino]phenyl]ethynyl]benzoate
CID 38087980
3-(benzenesulfonylmethyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]furan-2-carboxamide
CID 56552534

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonylmethyl)-N-(4-fluorophenyl)furan-2-carboxamide?
The IUPAC name of 3-(benzenesulfonylmethyl)-N-(4-fluorophenyl)furan-2-carboxamide (CID 34978340) is 3-(benzenesulfonylmethyl)-N-(4-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for 3-(benzenesulfonylmethyl)-N-(4-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for 3-(benzenesulfonylmethyl)-N-(4-fluorophenyl)furan-2-carboxamide is O=C(Nc1ccc(F)cc1)c1occc1CS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonylmethyl)-N-(4-fluorophenyl)furan-2-carboxamide?
The InChIKey is ZRYLAFWZEIXZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO4S/c19-14-6-8-15(9-7-14)20-18(21)17-13(10-11-24-17)12-25(22,23)16-4-2-1-3-5-16/h1-11H,12H2,(H,20,21).
What are the key properties of 3-(benzenesulfonylmethyl)-N-(4-fluorophenyl)furan-2-carboxamide?
3-(benzenesulfonylmethyl)-N-(4-fluorophenyl)furan-2-carboxamide has a molecular weight of 359.38 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonylmethyl)-N-(4-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 34978340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).