4-amino-N-(2-fluoro-5-methylsulfonylphenyl)-1,2,5-oxadiazole-3-carboxamide

C10H9FN4O4S — CID 62688137

IUPAC4-amino-N-(2-fluoro-5-methylsulfonylphenyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCS(=O)(=O)c1ccc(F)c(NC(=O)c2nonc2N)c1
InChIInChI=1S/C10H9FN4O4S/c1-20(17,18)5-2-3-6(11)7(4-5)13-10(16)8-9(12)15-19-14-8/h2-4H,1H3,(H2,12,15)(H,13,16)
InChIKeyGQXOVRQVBZNKPP-UHFFFAOYSA-N
MW300.27 g/mol
LogP0.45
Rot. Bonds3

About 4-amino-N-(2-fluoro-5-methylsulfonylphenyl)-1,2,5-oxadiazole-3-carboxamide

4-amino-N-(2-fluoro-5-methylsulfonylphenyl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 62688137) has the molecular formula C10H9FN4O4S and a molecular weight of 300.27 g/mol. Its IUPAC name is 4-amino-N-(2-fluoro-5-methylsulfonylphenyl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-fluoro-5-methylsulfonylphenyl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID62688137
Molecular FormulaC10H9FN4O4S
Molecular Weight300.27 g/mol
Exact Mass300.03
IUPAC Name4-amino-N-(2-fluoro-5-methylsulfonylphenyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCS(=O)(=O)c1ccc(F)c(NC(=O)c2nonc2N)c1
InChIInChI=1S/C10H9FN4O4S/c1-20(17,18)5-2-3-6(11)7(4-5)13-10(16)8-9(12)15-19-14-8/h2-4H,1H3,(H2,12,15)(H,13,16)
InChIKeyGQXOVRQVBZNKPP-UHFFFAOYSA-N
XLogP0.45
TPSA128.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-N-(2-methyl-5-methylsulfonylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62687596
4-amino-N-(2,3-dimethyl-5-sulfamoylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62687413
4-amino-N-(3-fluoro-4-pyridinyl)-1,2,5-oxadiazole-3-carboxamide
CID 107595088
6-chloro-N-(2-fluoro-5-methylsulfonylphenyl)pyridine-2-carboxamide
CID 62234738
4-amino-N-(5-chloro-2-methoxyphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62688661
(2R)-2-amino-N-(2-fluoro-5-methylsulfonylphenyl)-3,3-dimethylbutanamide
CID 103928803
4-amino-N-(4-bromo-2-methylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62687389
4-amino-N-(2-chloro-4-methylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62687766
4-amino-N-(2,4,5-trichlorophenyl)-1,2,5-oxadiazole-3-carboxamide
CID 55103950
4-amino-N-(3-fluoro-5-methylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 79049325
tert-butyl N-(2-fluoro-5-methylsulfonylphenyl)carbamate
CID 65143064
1-(aminomethyl)-N-(2-fluoro-5-methylsulfonylphenyl)cyclopropane-1-carboxamide
CID 115452495

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-fluoro-5-methylsulfonylphenyl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2-fluoro-5-methylsulfonylphenyl)-1,2,5-oxadiazole-3-carboxamide (CID 62688137) is 4-amino-N-(2-fluoro-5-methylsulfonylphenyl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-fluoro-5-methylsulfonylphenyl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-fluoro-5-methylsulfonylphenyl)-1,2,5-oxadiazole-3-carboxamide is CS(=O)(=O)c1ccc(F)c(NC(=O)c2nonc2N)c1.
What is the InChIKey of 4-amino-N-(2-fluoro-5-methylsulfonylphenyl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is GQXOVRQVBZNKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O4S/c1-20(17,18)5-2-3-6(11)7(4-5)13-10(16)8-9(12)15-19-14-8/h2-4H,1H3,(H2,12,15)(H,13,16).
What are the key properties of 4-amino-N-(2-fluoro-5-methylsulfonylphenyl)-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-(2-fluoro-5-methylsulfonylphenyl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 300.27 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-fluoro-5-methylsulfonylphenyl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 62688137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).