4-[(1R,2R)-2-[3-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]benzenesulfonamide

C16H13FN4O3S — CID 130448621

IUPAC4-[(1R,2R)-2-[3-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc([C@@H]2C[C@H]2c2nc(-c3cncc(F)c3)no2)cc1
InChIInChI=1S/C16H13FN4O3S/c17-11-5-10(7-19-8-11)15-20-16(24-21-15)14-6-13(14)9-1-3-12(4-2-9)25(18,22)23/h1-5,7-8,13-14H,6H2,(H2,18,22,23)/t13-,14+/m0/s1
InChIKeyDIBKTYYOOZQKCM-UONOGXRCSA-N
MW360.37 g/mol
LogP2.19
Rot. Bonds4

About 4-[(1R,2R)-2-[3-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]benzenesulfonamide

4-[(1R,2R)-2-[3-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]benzenesulfonamide (PubChem CID 130448621) has the molecular formula C16H13FN4O3S and a molecular weight of 360.37 g/mol. Its IUPAC name is 4-[(1R,2R)-2-[3-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(1R,2R)-2-[3-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]benzenesulfonamide
PubChem CID130448621
Molecular FormulaC16H13FN4O3S
Molecular Weight360.37 g/mol
Exact Mass360.07
IUPAC Name4-[(1R,2R)-2-[3-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc([C@@H]2C[C@H]2c2nc(-c3cncc(F)c3)no2)cc1
InChIInChI=1S/C16H13FN4O3S/c17-11-5-10(7-19-8-11)15-20-16(24-21-15)14-6-13(14)9-1-3-12(4-2-9)25(18,22)23/h1-5,7-8,13-14H,6H2,(H2,18,22,23)/t13-,14+/m0/s1
InChIKeyDIBKTYYOOZQKCM-UONOGXRCSA-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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Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2R)-2-[3-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]benzenesulfonamide?
The IUPAC name of 4-[(1R,2R)-2-[3-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]benzenesulfonamide (CID 130448621) is 4-[(1R,2R)-2-[3-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]benzenesulfonamide.
What is the SMILES notation for 4-[(1R,2R)-2-[3-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]benzenesulfonamide?
The canonical SMILES for 4-[(1R,2R)-2-[3-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]benzenesulfonamide is NS(=O)(=O)c1ccc([C@@H]2C[C@H]2c2nc(-c3cncc(F)c3)no2)cc1.
What is the InChIKey of 4-[(1R,2R)-2-[3-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]benzenesulfonamide?
The InChIKey is DIBKTYYOOZQKCM-UONOGXRCSA-N. The full InChI is InChI=1S/C16H13FN4O3S/c17-11-5-10(7-19-8-11)15-20-16(24-21-15)14-6-13(14)9-1-3-12(4-2-9)25(18,22)23/h1-5,7-8,13-14H,6H2,(H2,18,22,23)/t13-,14+/m0/s1.
What are the key properties of 4-[(1R,2R)-2-[3-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]benzenesulfonamide?
4-[(1R,2R)-2-[3-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]benzenesulfonamide 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 4-[(1R,2R)-2-[3-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]benzenesulfonamide is sourced from PubChem (CID 130448621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).