1-benzhydryl-3-[methylsulfonyl(phenyl)methyl]azetidin-3-ol

C24H25NO3S — CID 11441159

IUPAC1-benzhydryl-3-[methylsulfonyl(phenyl)methyl]azetidin-3-ol
SMILESCS(=O)(=O)C(c1ccccc1)C1(O)CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C24H25NO3S/c1-29(27,28)23(21-15-9-4-10-16-21)24(26)17-25(18-24)22(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-16,22-23,26H,17-18H2,1H3
InChIKeyVATWZVGKXVVQLO-UHFFFAOYSA-N
MW407.54 g/mol
LogP3.61
Rot. Bonds6

About 1-benzhydryl-3-[methylsulfonyl(phenyl)methyl]azetidin-3-ol

1-benzhydryl-3-[methylsulfonyl(phenyl)methyl]azetidin-3-ol (PubChem CID 11441159) has the molecular formula C24H25NO3S and a molecular weight of 407.54 g/mol. Its IUPAC name is 1-benzhydryl-3-[methylsulfonyl(phenyl)methyl]azetidin-3-ol.

Molecular Properties

Compound Name1-benzhydryl-3-[methylsulfonyl(phenyl)methyl]azetidin-3-ol
PubChem CID11441159
Molecular FormulaC24H25NO3S
Molecular Weight407.54 g/mol
Exact Mass407.16
IUPAC Name1-benzhydryl-3-[methylsulfonyl(phenyl)methyl]azetidin-3-ol
SMILESCS(=O)(=O)C(c1ccccc1)C1(O)CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C24H25NO3S/c1-29(27,28)23(21-15-9-4-10-16-21)24(26)17-25(18-24)22(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-16,22-23,26H,17-18H2,1H3
InChIKeyVATWZVGKXVVQLO-UHFFFAOYSA-N
XLogP3.61
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-benzhydryl-3-[methylsulfonyl(phenyl)methyl]azetidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[bis(4-chlorophenyl)methyl]-3-[(3,5-dichlorophenyl)-methylsulfonylmethyl]azetidin-3-ol
CID 22565296
4-[3-[[1-[bis(4-chlorophenyl)methyl]-3-hydroxyazetidin-3-yl]-methylsulfonylmethyl]phenyl]piperazine-1-carboxylic acid
CID 18668732
ethenyl 3-hydroxy-3-[methylsulfonyl(phenyl)methyl]azetidine-1-carboxylate
CID 22506776
1-[bis(4-chlorophenyl)methyl]-3-[methylsulfonyl-(3-piperazin-1-ylphenyl)methyl]azetidin-3-ol
CID 70083714
2-(1-benzhydryl-3-hydroxyazetidin-3-yl)-3,3-dimethylbutanoic acid
CID 67051529
(1-benzhydryl-3-iodoazetidin-3-yl) methanesulfonate
CID 129157872
1-benzhydryl-3-(sulfanylmethyl)azetidin-3-ol
CID 89059165
1-benzhydryl-3,3-dimethylazetidine;1-benzhydryl-3-methylazetidin-3-ol;3-methylazetidin-3-ol
CID 158144824
3-(anilinomethyl)-1-benzhydrylazetidin-3-ol
CID 68555934
(1-benzhydryl-3-methylazetidin-3-yl)methylcarbamic acid
CID 66953063
N-[(1-benzhydryl-3-hydroxyazetidin-3-yl)methyl]-methylboronamidic acid
CID 20668520
5-benzhydryl-2-methyl-1-oxa-5-azaspiro[2.3]hexane
CID 167092209

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-[methylsulfonyl(phenyl)methyl]azetidin-3-ol?
The IUPAC name of 1-benzhydryl-3-[methylsulfonyl(phenyl)methyl]azetidin-3-ol (CID 11441159) is 1-benzhydryl-3-[methylsulfonyl(phenyl)methyl]azetidin-3-ol.
What is the SMILES notation for 1-benzhydryl-3-[methylsulfonyl(phenyl)methyl]azetidin-3-ol?
The canonical SMILES for 1-benzhydryl-3-[methylsulfonyl(phenyl)methyl]azetidin-3-ol is CS(=O)(=O)C(c1ccccc1)C1(O)CN(C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 1-benzhydryl-3-[methylsulfonyl(phenyl)methyl]azetidin-3-ol?
The InChIKey is VATWZVGKXVVQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3S/c1-29(27,28)23(21-15-9-4-10-16-21)24(26)17-25(18-24)22(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-16,22-23,26H,17-18H2,1H3.
What are the key properties of 1-benzhydryl-3-[methylsulfonyl(phenyl)methyl]azetidin-3-ol?
1-benzhydryl-3-[methylsulfonyl(phenyl)methyl]azetidin-3-ol has a molecular weight of 407.54 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-[methylsulfonyl(phenyl)methyl]azetidin-3-ol is sourced from PubChem (CID 11441159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).