2-fluoro-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-sulfamoylbenzamide

C14H11FN4O5S — CID 72921385

IUPAC2-fluoro-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(F)c(C(=O)NCc2noc(-c3ccco3)n2)c1
InChIInChI=1S/C14H11FN4O5S/c15-10-4-3-8(25(16,21)22)6-9(10)13(20)17-7-12-18-14(24-19-12)11-2-1-5-23-11/h1-6H,7H2,(H,17,20)(H2,16,21,22)
InChIKeyVOGRIZVBHZPPTR-UHFFFAOYSA-N
MW366.33 g/mol
LogP1.05
Rot. Bonds5

About 2-fluoro-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-sulfamoylbenzamide

2-fluoro-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-sulfamoylbenzamide (PubChem CID 72921385) has the molecular formula C14H11FN4O5S and a molecular weight of 366.33 g/mol. Its IUPAC name is 2-fluoro-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-sulfamoylbenzamide
PubChem CID72921385
Molecular FormulaC14H11FN4O5S
Molecular Weight366.33 g/mol
Exact Mass366.04
IUPAC Name2-fluoro-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(F)c(C(=O)NCc2noc(-c3ccco3)n2)c1
InChIInChI=1S/C14H11FN4O5S/c15-10-4-3-8(25(16,21)22)6-9(10)13(20)17-7-12-18-14(24-19-12)11-2-1-5-23-11/h1-6H,7H2,(H,17,20)(H2,16,21,22)
InChIKeyVOGRIZVBHZPPTR-UHFFFAOYSA-N
XLogP1.05
TPSA141.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.33
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-fluoro-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-sulfamoylbenzamide with MolForge

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Related Compounds

N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}furan-2-carboxamide
CID 2990373
N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]furan-2-carboxamide
CID 6484582
3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 6472980
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide
CID 2990137
N-Benzyl-4-{5-[1-(furan-2-carbonyl)-piperidin-3-yl]-[1,2,4]oxadiazol-3-yl}-benzenesulfonamide
CID 655414
3-(4-fluorophenyl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 145967647
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide
CID 2989051
4-[5-(2-Furyl)-1,2,4-oxadiazol-3-yl]phenyl piperidino sulfone
CID 53075255
N-(1-{3-[4-(Pyrrolidine-1-sulfonyl)phenyl]-1,2,4-oxadiazol-5-YL}ethyl)furan-2-carboxamide
CID 20933973
5-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylfuran-2-sulfonamide
CID 45504324
N-{2-Oxo-2-[4-(5-phenyl-1,2,4-oxadiazol-3-YL)piperidin-1-YL]ethyl}furan-2-carboxamide
CID 53121755
N-{[5-(2-furyl)-1,2,4-oxadiazol-3-yl]methyl}-4-(3-hydroxy-3-methylbutyl)benzamide
CID 70759067

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-sulfamoylbenzamide?
The IUPAC name of 2-fluoro-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-sulfamoylbenzamide (CID 72921385) is 2-fluoro-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-sulfamoylbenzamide.
What is the SMILES notation for 2-fluoro-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-sulfamoylbenzamide?
The canonical SMILES for 2-fluoro-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-sulfamoylbenzamide is NS(=O)(=O)c1ccc(F)c(C(=O)NCc2noc(-c3ccco3)n2)c1.
What is the InChIKey of 2-fluoro-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-sulfamoylbenzamide?
The InChIKey is VOGRIZVBHZPPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O5S/c15-10-4-3-8(25(16,21)22)6-9(10)13(20)17-7-12-18-14(24-19-12)11-2-1-5-23-11/h1-6H,7H2,(H,17,20)(H2,16,21,22).
What are the key properties of 2-fluoro-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-sulfamoylbenzamide?
2-fluoro-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-sulfamoylbenzamide has a molecular weight of 366.33 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-sulfamoylbenzamide is sourced from PubChem (CID 72921385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).