5-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]pyridine-2-sulfonamide

C16H13FN4O3S — CID 138496378

IUPAC5-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(C2CC2c2nc(-c3cccc(F)c3)no2)cn1
InChIInChI=1S/C16H13FN4O3S/c17-11-3-1-2-9(6-11)15-20-16(24-21-15)13-7-12(13)10-4-5-14(19-8-10)25(18,22)23/h1-6,8,12-13H,7H2,(H2,18,22,23)
InChIKeyNPUOTYQKHOQNPW-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.19
Rot. Bonds4

About 5-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]pyridine-2-sulfonamide

5-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]pyridine-2-sulfonamide (PubChem CID 138496378) has the molecular formula C16H13FN4O3S and a molecular weight of 360.37 g/mol. Its IUPAC name is 5-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]pyridine-2-sulfonamide
PubChem CID138496378
Molecular FormulaC16H13FN4O3S
Molecular Weight360.37 g/mol
Exact Mass360.07
IUPAC Name5-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(C2CC2c2nc(-c3cccc(F)c3)no2)cn1
InChIInChI=1S/C16H13FN4O3S/c17-11-3-1-2-9(6-11)15-20-16(24-21-15)13-7-12(13)10-4-5-14(19-8-10)25(18,22)23/h1-6,8,12-13H,7H2,(H2,18,22,23)
InChIKeyNPUOTYQKHOQNPW-UHFFFAOYSA-N
XLogP2.19
TPSA111.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(1R,2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]pyridine-2-sulfonamide
CID 151827727
4-[(1R,2R)-2-[3-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]benzenesulfonamide
CID 130448621
4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine
CID 79216876
4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
CID 83201040
2-[(1R,2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-1,3-thiazole-5-sulfonamide
CID 152716425
3-(3-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 139220637
5-[2-(4-chlorophenyl)cyclopropyl]-3-phenyl-1,2,4-oxadiazole
CID 19324469
4-[5-(2-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]aniline
CID 78953395
3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525244
3-(3-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride
CID 22248505
4-[(1R,3R)-3-[3-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide
CID 130448161
4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 63348552

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]pyridine-2-sulfonamide?
The IUPAC name of 5-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]pyridine-2-sulfonamide (CID 138496378) is 5-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]pyridine-2-sulfonamide.
What is the SMILES notation for 5-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]pyridine-2-sulfonamide?
The canonical SMILES for 5-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]pyridine-2-sulfonamide is NS(=O)(=O)c1ccc(C2CC2c2nc(-c3cccc(F)c3)no2)cn1.
What is the InChIKey of 5-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]pyridine-2-sulfonamide?
The InChIKey is NPUOTYQKHOQNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O3S/c17-11-3-1-2-9(6-11)15-20-16(24-21-15)13-7-12(13)10-4-5-14(19-8-10)25(18,22)23/h1-6,8,12-13H,7H2,(H2,18,22,23).
What are the key properties of 5-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]pyridine-2-sulfonamide?
5-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]pyridine-2-sulfonamide has a molecular weight of 360.37 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]pyridine-2-sulfonamide is sourced from PubChem (CID 138496378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).