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

C16H14N4O3S — CID 151827727

IUPAC5-[(1R,2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1ccc([C@@H]2C[C@H]2c2nc(-c3ccccc3)no2)cn1
InChIInChI=1S/C16H14N4O3S/c17-24(21,22)14-7-6-11(9-18-14)12-8-13(12)16-19-15(20-23-16)10-4-2-1-3-5-10/h1-7,9,12-13H,8H2,(H2,17,21,22)/t12-,13+/m0/s1
InChIKeySDZKOCYXPVZBIZ-QWHCGFSZSA-N
MW342.38 g/mol
LogP2.05
Rot. Bonds4

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

5-[(1R,2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]pyridine-2-sulfonamide (PubChem CID 151827727) has the molecular formula C16H14N4O3S and a molecular weight of 342.38 g/mol. Its IUPAC name is 5-[(1R,2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-[(1R,2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]pyridine-2-sulfonamide
PubChem CID151827727
Molecular FormulaC16H14N4O3S
Molecular Weight342.38 g/mol
Exact Mass342.08
IUPAC Name5-[(1R,2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1ccc([C@@H]2C[C@H]2c2nc(-c3ccccc3)no2)cn1
InChIInChI=1S/C16H14N4O3S/c17-24(21,22)14-7-6-11(9-18-14)12-8-13(12)16-19-15(20-23-16)10-4-2-1-3-5-10/h1-7,9,12-13H,8H2,(H2,17,21,22)/t12-,13+/m0/s1
InChIKeySDZKOCYXPVZBIZ-QWHCGFSZSA-N
XLogP2.05
TPSA111.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(1R,2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]pyridine-2-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

5-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]pyridine-2-sulfonamide
CID 138496378
2-[(1R,2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-1,3-thiazole-5-sulfonamide
CID 152716425
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
4-[(1R,2R)-2-[3-(5-fluoro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]benzenesulfonamide
CID 130448621
4-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)spiro[2.4]heptan-1-yl]benzenesulfonamide
CID 130448721
4-[(1S,3S)-2,2-dichloro-3-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]benzenesulfonamide
CID 130448259
4-[(1R,2R)-2-[3-(5-chloro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]benzenesulfonamide
CID 130466695
2-methyl-3-[5-(2-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]aniline
CID 19330699
5-[(1R,2S)-2-methylcyclopropyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 100676956
4-[(1S,2S)-2-[3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]benzenesulfonamide
CID 130448190
3-chloro-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole
CID 112572113

Frequently Asked Questions

What is the IUPAC name of 5-[(1R,2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]pyridine-2-sulfonamide?
The IUPAC name of 5-[(1R,2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]pyridine-2-sulfonamide (CID 151827727) is 5-[(1R,2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]pyridine-2-sulfonamide.
What is the SMILES notation for 5-[(1R,2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]pyridine-2-sulfonamide?
The canonical SMILES for 5-[(1R,2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]pyridine-2-sulfonamide is NS(=O)(=O)c1ccc([C@@H]2C[C@H]2c2nc(-c3ccccc3)no2)cn1.
What is the InChIKey of 5-[(1R,2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]pyridine-2-sulfonamide?
The InChIKey is SDZKOCYXPVZBIZ-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H14N4O3S/c17-24(21,22)14-7-6-11(9-18-14)12-8-13(12)16-19-15(20-23-16)10-4-2-1-3-5-10/h1-7,9,12-13H,8H2,(H2,17,21,22)/t12-,13+/m0/s1.
What are the key properties of 5-[(1R,2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]pyridine-2-sulfonamide?
5-[(1R,2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]pyridine-2-sulfonamide has a molecular weight of 342.38 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]pyridine-2-sulfonamide is sourced from PubChem (CID 151827727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).