1-(4-methylphenyl)sulfonyl-3-phenylazetidin-3-ol

C16H17NO3S — CID 15362295

IUPAC1-(4-methylphenyl)sulfonyl-3-phenylazetidin-3-ol
SMILESCc1ccc(S(=O)(=O)N2CC(O)(c3ccccc3)C2)cc1
InChIInChI=1S/C16H17NO3S/c1-13-7-9-15(10-8-13)21(19,20)17-11-16(18,12-17)14-5-3-2-4-6-14/h2-10,18H,11-12H2,1H3
InChIKeyXXOUHWFSMFAJKG-UHFFFAOYSA-N
MW303.38 g/mol
LogP1.89
Rot. Bonds3

About 1-(4-methylphenyl)sulfonyl-3-phenylazetidin-3-ol

1-(4-methylphenyl)sulfonyl-3-phenylazetidin-3-ol (PubChem CID 15362295) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-3-phenylazetidin-3-ol.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-3-phenylazetidin-3-ol
PubChem CID15362295
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name1-(4-methylphenyl)sulfonyl-3-phenylazetidin-3-ol
SMILESCc1ccc(S(=O)(=O)N2CC(O)(c3ccccc3)C2)cc1
InChIInChI=1S/C16H17NO3S/c1-13-7-9-15(10-8-13)21(19,20)17-11-16(18,12-17)14-5-3-2-4-6-14/h2-10,18H,11-12H2,1H3
InChIKeyXXOUHWFSMFAJKG-UHFFFAOYSA-N
XLogP1.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-3-phenylazetidin-3-ol?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-3-phenylazetidin-3-ol (CID 15362295) is 1-(4-methylphenyl)sulfonyl-3-phenylazetidin-3-ol.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-3-phenylazetidin-3-ol?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-3-phenylazetidin-3-ol is Cc1ccc(S(=O)(=O)N2CC(O)(c3ccccc3)C2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-3-phenylazetidin-3-ol?
The InChIKey is XXOUHWFSMFAJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-13-7-9-15(10-8-13)21(19,20)17-11-16(18,12-17)14-5-3-2-4-6-14/h2-10,18H,11-12H2,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-3-phenylazetidin-3-ol?
1-(4-methylphenyl)sulfonyl-3-phenylazetidin-3-ol has a molecular weight of 303.38 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-3-phenylazetidin-3-ol is sourced from PubChem (CID 15362295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).