2-fluoro-N-[(1R)-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-5-sulfamoylbenzamide

C16H14FN5O4S — CID 97206953

IUPAC2-fluoro-N-[(1R)-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-5-sulfamoylbenzamide
SMILESC[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1F)c1nc(-c2ccccn2)no1
InChIInChI=1S/C16H14FN5O4S/c1-9(16-21-14(22-26-16)13-4-2-3-7-19-13)20-15(23)11-8-10(27(18,24)25)5-6-12(11)17/h2-9H,1H3,(H,20,23)(H2,18,24,25)/t9-/m1/s1
InChIKeyJEKBULKGDATEBI-SECBINFHSA-N
MW391.38 g/mol
LogP1.41
Rot. Bonds5

About 2-fluoro-N-[(1R)-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-5-sulfamoylbenzamide

2-fluoro-N-[(1R)-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-5-sulfamoylbenzamide (PubChem CID 97206953) has the molecular formula C16H14FN5O4S and a molecular weight of 391.38 g/mol. Its IUPAC name is 2-fluoro-N-[(1R)-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[(1R)-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-5-sulfamoylbenzamide
PubChem CID97206953
Molecular FormulaC16H14FN5O4S
Molecular Weight391.38 g/mol
Exact Mass391.08
IUPAC Name2-fluoro-N-[(1R)-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-5-sulfamoylbenzamide
SMILESC[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1F)c1nc(-c2ccccn2)no1
InChIInChI=1S/C16H14FN5O4S/c1-9(16-21-14(22-26-16)13-4-2-3-7-19-13)20-15(23)11-8-10(27(18,24)25)5-6-12(11)17/h2-9H,1H3,(H,20,23)(H2,18,24,25)/t9-/m1/s1
InChIKeyJEKBULKGDATEBI-SECBINFHSA-N
XLogP1.41
TPSA141.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-fluoro-N-[(1R)-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-5-sulfamoylbenzamide with MolForge

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Related Compounds

8-fluoro-N-[(1R)-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]quinoline-2-carboxamide
CID 97133752
2-(dimethylamino)-4-methyl-N-[(1R)-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-5-carboxamide
CID 97192441
2-methyl-N-[(1S)-1-pyridin-2-ylethyl]-5-sulfamoylbenzamide
CID 35943097
N-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,5-difluorobenzamide
CID 95782686
3-phenyl-N-[(1R)-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 93072769
2-fluoro-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101311
5-chloro-2-fluoro-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 27759607
2-fluoro-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide
CID 65388219
3-methoxy-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 166606808
N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-fluoro-5-sulfamoylbenzamide
CID 97141168
2-methyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 43096854
5-fluoro-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylbenzamide
CID 95141288

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1R)-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-5-sulfamoylbenzamide?
The IUPAC name of 2-fluoro-N-[(1R)-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-5-sulfamoylbenzamide (CID 97206953) is 2-fluoro-N-[(1R)-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-5-sulfamoylbenzamide.
What is the SMILES notation for 2-fluoro-N-[(1R)-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-5-sulfamoylbenzamide?
The canonical SMILES for 2-fluoro-N-[(1R)-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-5-sulfamoylbenzamide is C[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1F)c1nc(-c2ccccn2)no1.
What is the InChIKey of 2-fluoro-N-[(1R)-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-5-sulfamoylbenzamide?
The InChIKey is JEKBULKGDATEBI-SECBINFHSA-N. The full InChI is InChI=1S/C16H14FN5O4S/c1-9(16-21-14(22-26-16)13-4-2-3-7-19-13)20-15(23)11-8-10(27(18,24)25)5-6-12(11)17/h2-9H,1H3,(H,20,23)(H2,18,24,25)/t9-/m1/s1.
What are the key properties of 2-fluoro-N-[(1R)-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-5-sulfamoylbenzamide?
2-fluoro-N-[(1R)-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-5-sulfamoylbenzamide has a molecular weight of 391.38 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1R)-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-5-sulfamoylbenzamide is sourced from PubChem (CID 97206953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).