6-[1-(3-nitrophenyl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile

C15H12N4O5S — CID 122248957

IUPAC6-[1-(3-nitrophenyl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile
SMILESN#Cc1ccc(OC2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C2)nc1
InChIInChI=1S/C15H12N4O5S/c16-7-11-4-5-15(17-8-11)24-13-9-18(10-13)25(22,23)14-3-1-2-12(6-14)19(20)21/h1-6,8,13H,9-10H2
InChIKeyYQIMZOOSHQXVSP-UHFFFAOYSA-N
MW360.35 g/mol
LogP1.31
Rot. Bonds5

About 6-[1-(3-nitrophenyl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile

6-[1-(3-nitrophenyl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile (PubChem CID 122248957) has the molecular formula C15H12N4O5S and a molecular weight of 360.35 g/mol. Its IUPAC name is 6-[1-(3-nitrophenyl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-(3-nitrophenyl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile
PubChem CID122248957
Molecular FormulaC15H12N4O5S
Molecular Weight360.35 g/mol
Exact Mass360.05
IUPAC Name6-[1-(3-nitrophenyl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile
SMILESN#Cc1ccc(OC2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C2)nc1
InChIInChI=1S/C15H12N4O5S/c16-7-11-4-5-15(17-8-11)24-13-9-18(10-13)25(22,23)14-3-1-2-12(6-14)19(20)21/h1-6,8,13H,9-10H2
InChIKeyYQIMZOOSHQXVSP-UHFFFAOYSA-N
XLogP1.31
TPSA126.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.35
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248978
6-[1-(4-propylphenyl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248982
6-[1-(5-methylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248959
2-(3-nitrophenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 110867940
3-(3-nitrophenyl)sulfonyl-8-oxa-3-azabicyclo[3.2.1]octane
CID 171592449
3,5-dimethyl-1-(3-nitrophenyl)sulfonylpiperazine
CID 63874619
6-(3-nitrophenyl)sulfonyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102680967
2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252604
6-[[8-(4-tert-butylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridine-3-carbonitrile
CID 25192692
N-[2-[(5-cyano-2-pyridinyl)amino]ethyl]-3-nitrobenzenesulfonamide
CID 133269912
(3S)-3-methyl-1-(3-nitrophenyl)sulfonylpiperazine
CID 104976600
5-chloro-2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine
CID 122248528

Frequently Asked Questions

What is the IUPAC name of 6-[1-(3-nitrophenyl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile?
The IUPAC name of 6-[1-(3-nitrophenyl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile (CID 122248957) is 6-[1-(3-nitrophenyl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-(3-nitrophenyl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile?
The canonical SMILES for 6-[1-(3-nitrophenyl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile is N#Cc1ccc(OC2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C2)nc1.
What is the InChIKey of 6-[1-(3-nitrophenyl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile?
The InChIKey is YQIMZOOSHQXVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O5S/c16-7-11-4-5-15(17-8-11)24-13-9-18(10-13)25(22,23)14-3-1-2-12(6-14)19(20)21/h1-6,8,13H,9-10H2.
What are the key properties of 6-[1-(3-nitrophenyl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile?
6-[1-(3-nitrophenyl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile has a molecular weight of 360.35 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(3-nitrophenyl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile is sourced from PubChem (CID 122248957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).