1-(2-hydroxyphenyl)sulfonyl-3-(1-methylimidazol-2-yl)azetidin-3-ol

C13H15N3O4S — CID 138009326

IUPAC1-(2-hydroxyphenyl)sulfonyl-3-(1-methylimidazol-2-yl)azetidin-3-ol
SMILESCn1ccnc1C1(O)CN(S(=O)(=O)c2ccccc2O)C1
InChIInChI=1S/C13H15N3O4S/c1-15-7-6-14-12(15)13(18)8-16(9-13)21(19,20)11-5-3-2-4-10(11)17/h2-7,17-18H,8-9H2,1H3
InChIKeyKYOSKKPYKPEWLA-UHFFFAOYSA-N
MW309.35 g/mol
LogP0.02
Rot. Bonds3

About 1-(2-hydroxyphenyl)sulfonyl-3-(1-methylimidazol-2-yl)azetidin-3-ol

1-(2-hydroxyphenyl)sulfonyl-3-(1-methylimidazol-2-yl)azetidin-3-ol (PubChem CID 138009326) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 1-(2-hydroxyphenyl)sulfonyl-3-(1-methylimidazol-2-yl)azetidin-3-ol.

Molecular Properties

Compound Name1-(2-hydroxyphenyl)sulfonyl-3-(1-methylimidazol-2-yl)azetidin-3-ol
PubChem CID138009326
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name1-(2-hydroxyphenyl)sulfonyl-3-(1-methylimidazol-2-yl)azetidin-3-ol
SMILESCn1ccnc1C1(O)CN(S(=O)(=O)c2ccccc2O)C1
InChIInChI=1S/C13H15N3O4S/c1-15-7-6-14-12(15)13(18)8-16(9-13)21(19,20)11-5-3-2-4-10(11)17/h2-7,17-18H,8-9H2,1H3
InChIKeyKYOSKKPYKPEWLA-UHFFFAOYSA-N
XLogP0.02
TPSA95.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyphenyl)sulfonyl-3-(1-methylimidazol-2-yl)azetidin-3-ol?
The IUPAC name of 1-(2-hydroxyphenyl)sulfonyl-3-(1-methylimidazol-2-yl)azetidin-3-ol (CID 138009326) is 1-(2-hydroxyphenyl)sulfonyl-3-(1-methylimidazol-2-yl)azetidin-3-ol.
What is the SMILES notation for 1-(2-hydroxyphenyl)sulfonyl-3-(1-methylimidazol-2-yl)azetidin-3-ol?
The canonical SMILES for 1-(2-hydroxyphenyl)sulfonyl-3-(1-methylimidazol-2-yl)azetidin-3-ol is Cn1ccnc1C1(O)CN(S(=O)(=O)c2ccccc2O)C1.
What is the InChIKey of 1-(2-hydroxyphenyl)sulfonyl-3-(1-methylimidazol-2-yl)azetidin-3-ol?
The InChIKey is KYOSKKPYKPEWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-15-7-6-14-12(15)13(18)8-16(9-13)21(19,20)11-5-3-2-4-10(11)17/h2-7,17-18H,8-9H2,1H3.
What are the key properties of 1-(2-hydroxyphenyl)sulfonyl-3-(1-methylimidazol-2-yl)azetidin-3-ol?
1-(2-hydroxyphenyl)sulfonyl-3-(1-methylimidazol-2-yl)azetidin-3-ol has a molecular weight of 309.35 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyphenyl)sulfonyl-3-(1-methylimidazol-2-yl)azetidin-3-ol is sourced from PubChem (CID 138009326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).