3-(4-cyanophenoxy)azetidine-1-sulfonyl fluoride

C10H9FN2O3S — CID 154880570

IUPAC3-(4-cyanophenoxy)azetidine-1-sulfonyl fluoride
SMILESN#Cc1ccc(OC2CN(S(=O)(=O)F)C2)cc1
InChIInChI=1S/C10H9FN2O3S/c11-17(14,15)13-6-10(7-13)16-9-3-1-8(5-12)2-4-9/h1-4,10H,6-7H2
InChIKeyOVSGXYJAXMHPDB-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.84
Rot. Bonds3

About 3-(4-cyanophenoxy)azetidine-1-sulfonyl fluoride

3-(4-cyanophenoxy)azetidine-1-sulfonyl fluoride (PubChem CID 154880570) has the molecular formula C10H9FN2O3S and a molecular weight of 256.26 g/mol. Its IUPAC name is 3-(4-cyanophenoxy)azetidine-1-sulfonyl fluoride.

Molecular Properties

Compound Name3-(4-cyanophenoxy)azetidine-1-sulfonyl fluoride
PubChem CID154880570
Molecular FormulaC10H9FN2O3S
Molecular Weight256.26 g/mol
Exact Mass256.03
IUPAC Name3-(4-cyanophenoxy)azetidine-1-sulfonyl fluoride
SMILESN#Cc1ccc(OC2CN(S(=O)(=O)F)C2)cc1
InChIInChI=1S/C10H9FN2O3S/c11-17(14,15)13-6-10(7-13)16-9-3-1-8(5-12)2-4-9/h1-4,10H,6-7H2
InChIKeyOVSGXYJAXMHPDB-UHFFFAOYSA-N
XLogP0.84
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-thiophen-2-ylsulfonylazetidin-3-yl)oxybenzonitrile
CID 75507552
4-(oxetan-3-yloxy)benzonitrile
CID 56604390
4-(3-methoxycyclobutyl)oxybenzonitrile
CID 169088074
4-(3-propan-2-ylcyclobutyl)oxybenzonitrile
CID 118071296
4-(1,1-dioxothiolan-3-yl)oxybenzonitrile
CID 61058416
4-[1-(1,5-dimethylpyrrole-2-carbonyl)azetidin-3-yl]oxybenzonitrile
CID 86792894
4-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]sulfonylbenzonitrile
CID 90627782
4-[1-(2-cyclopent-2-en-1-ylacetyl)azetidin-3-yl]oxybenzonitrile
CID 86792878
4-[[3-(4-cyanophenoxy)azetidine-1-carbonyl]amino]butanoic acid
CID 122022820
4-[4-(1-acetylpiperidin-4-yl)oxyphenyl]benzonitrile
CID 24732829
4-[4-(3-oxocyclopentyl)oxyphenyl]benzonitrile
CID 79639113
4-[[(3aR,6aS)-2-[2-(6-fluoro-5-hydroxy-2-pyridinyl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]oxy]benzonitrile
CID 121247598

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenoxy)azetidine-1-sulfonyl fluoride?
The IUPAC name of 3-(4-cyanophenoxy)azetidine-1-sulfonyl fluoride (CID 154880570) is 3-(4-cyanophenoxy)azetidine-1-sulfonyl fluoride.
What is the SMILES notation for 3-(4-cyanophenoxy)azetidine-1-sulfonyl fluoride?
The canonical SMILES for 3-(4-cyanophenoxy)azetidine-1-sulfonyl fluoride is N#Cc1ccc(OC2CN(S(=O)(=O)F)C2)cc1.
What is the InChIKey of 3-(4-cyanophenoxy)azetidine-1-sulfonyl fluoride?
The InChIKey is OVSGXYJAXMHPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O3S/c11-17(14,15)13-6-10(7-13)16-9-3-1-8(5-12)2-4-9/h1-4,10H,6-7H2.
What are the key properties of 3-(4-cyanophenoxy)azetidine-1-sulfonyl fluoride?
3-(4-cyanophenoxy)azetidine-1-sulfonyl fluoride has a molecular weight of 256.26 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenoxy)azetidine-1-sulfonyl fluoride is sourced from PubChem (CID 154880570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).