1-benzhydryl-3-(4-chlorophenyl)-2-methyl-2-methylsulfonylazetidin-3-ol

C24H24ClNO3S — CID 57085935

IUPAC1-benzhydryl-3-(4-chlorophenyl)-2-methyl-2-methylsulfonylazetidin-3-ol
SMILESCC1(S(C)(=O)=O)N(C(c2ccccc2)c2ccccc2)CC1(O)c1ccc(Cl)cc1
InChIInChI=1S/C24H24ClNO3S/c1-23(30(2,28)29)24(27,20-13-15-21(25)16-14-20)17-26(23)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16,22,27H,17H2,1-2H3
InChIKeyIQINVQZSVAXNNL-UHFFFAOYSA-N
MW441.98 g/mol
LogP4.39
Rot. Bonds5

About 1-benzhydryl-3-(4-chlorophenyl)-2-methyl-2-methylsulfonylazetidin-3-ol

1-benzhydryl-3-(4-chlorophenyl)-2-methyl-2-methylsulfonylazetidin-3-ol (PubChem CID 57085935) has the molecular formula C24H24ClNO3S and a molecular weight of 441.98 g/mol. Its IUPAC name is 1-benzhydryl-3-(4-chlorophenyl)-2-methyl-2-methylsulfonylazetidin-3-ol.

Molecular Properties

Compound Name1-benzhydryl-3-(4-chlorophenyl)-2-methyl-2-methylsulfonylazetidin-3-ol
PubChem CID57085935
Molecular FormulaC24H24ClNO3S
Molecular Weight441.98 g/mol
Exact Mass441.12
IUPAC Name1-benzhydryl-3-(4-chlorophenyl)-2-methyl-2-methylsulfonylazetidin-3-ol
SMILESCC1(S(C)(=O)=O)N(C(c2ccccc2)c2ccccc2)CC1(O)c1ccc(Cl)cc1
InChIInChI=1S/C24H24ClNO3S/c1-23(30(2,28)29)24(27,20-13-15-21(25)16-14-20)17-26(23)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16,22,27H,17H2,1-2H3
InChIKeyIQINVQZSVAXNNL-UHFFFAOYSA-N
XLogP4.39
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.98
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-(4-chlorophenyl)-2-methyl-2-methylsulfonylazetidin-3-ol?
The IUPAC name of 1-benzhydryl-3-(4-chlorophenyl)-2-methyl-2-methylsulfonylazetidin-3-ol (CID 57085935) is 1-benzhydryl-3-(4-chlorophenyl)-2-methyl-2-methylsulfonylazetidin-3-ol.
What is the SMILES notation for 1-benzhydryl-3-(4-chlorophenyl)-2-methyl-2-methylsulfonylazetidin-3-ol?
The canonical SMILES for 1-benzhydryl-3-(4-chlorophenyl)-2-methyl-2-methylsulfonylazetidin-3-ol is CC1(S(C)(=O)=O)N(C(c2ccccc2)c2ccccc2)CC1(O)c1ccc(Cl)cc1.
What is the InChIKey of 1-benzhydryl-3-(4-chlorophenyl)-2-methyl-2-methylsulfonylazetidin-3-ol?
The InChIKey is IQINVQZSVAXNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClNO3S/c1-23(30(2,28)29)24(27,20-13-15-21(25)16-14-20)17-26(23)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16,22,27H,17H2,1-2H3.
What are the key properties of 1-benzhydryl-3-(4-chlorophenyl)-2-methyl-2-methylsulfonylazetidin-3-ol?
1-benzhydryl-3-(4-chlorophenyl)-2-methyl-2-methylsulfonylazetidin-3-ol has a molecular weight of 441.98 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-(4-chlorophenyl)-2-methyl-2-methylsulfonylazetidin-3-ol is sourced from PubChem (CID 57085935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).