N-[(2S,3R)-1-[bis(4-chlorophenyl)methyl]-2-methylazetidin-3-yl]-N-phenylmethanesulfonamide

C24H24Cl2N2O2S — CID 69446675

IUPACN-[(2S,3R)-1-[bis(4-chlorophenyl)methyl]-2-methylazetidin-3-yl]-N-phenylmethanesulfonamide
SMILESC[C@H]1[C@H](N(c2ccccc2)S(C)(=O)=O)CN1C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H24Cl2N2O2S/c1-17-23(28(31(2,29)30)22-6-4-3-5-7-22)16-27(17)24(18-8-12-20(25)13-9-18)19-10-14-21(26)15-11-19/h3-15,17,23-24H,16H2,1-2H3/t17-,23+/m0/s1
InChIKeySAQXOYXLZPGDGO-GAJHUEQPSA-N
MW475.44 g/mol
LogP5.62
Rot. Bonds6

About N-[(2S,3R)-1-[bis(4-chlorophenyl)methyl]-2-methylazetidin-3-yl]-N-phenylmethanesulfonamide

N-[(2S,3R)-1-[bis(4-chlorophenyl)methyl]-2-methylazetidin-3-yl]-N-phenylmethanesulfonamide (PubChem CID 69446675) has the molecular formula C24H24Cl2N2O2S and a molecular weight of 475.44 g/mol. Its IUPAC name is N-[(2S,3R)-1-[bis(4-chlorophenyl)methyl]-2-methylazetidin-3-yl]-N-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[(2S,3R)-1-[bis(4-chlorophenyl)methyl]-2-methylazetidin-3-yl]-N-phenylmethanesulfonamide
PubChem CID69446675
Molecular FormulaC24H24Cl2N2O2S
Molecular Weight475.44 g/mol
Exact Mass474.09
IUPAC NameN-[(2S,3R)-1-[bis(4-chlorophenyl)methyl]-2-methylazetidin-3-yl]-N-phenylmethanesulfonamide
SMILESC[C@H]1[C@H](N(c2ccccc2)S(C)(=O)=O)CN1C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H24Cl2N2O2S/c1-17-23(28(31(2,29)30)22-6-4-3-5-7-22)16-27(17)24(18-8-12-20(25)13-9-18)19-10-14-21(26)15-11-19/h3-15,17,23-24H,16H2,1-2H3/t17-,23+/m0/s1
InChIKeySAQXOYXLZPGDGO-GAJHUEQPSA-N
XLogP5.62
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.44
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-1-[bis(4-chlorophenyl)methyl]-2-methylazetidin-3-yl]-N-phenylmethanesulfonamide?
The IUPAC name of N-[(2S,3R)-1-[bis(4-chlorophenyl)methyl]-2-methylazetidin-3-yl]-N-phenylmethanesulfonamide (CID 69446675) is N-[(2S,3R)-1-[bis(4-chlorophenyl)methyl]-2-methylazetidin-3-yl]-N-phenylmethanesulfonamide.
What is the SMILES notation for N-[(2S,3R)-1-[bis(4-chlorophenyl)methyl]-2-methylazetidin-3-yl]-N-phenylmethanesulfonamide?
The canonical SMILES for N-[(2S,3R)-1-[bis(4-chlorophenyl)methyl]-2-methylazetidin-3-yl]-N-phenylmethanesulfonamide is C[C@H]1[C@H](N(c2ccccc2)S(C)(=O)=O)CN1C(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(2S,3R)-1-[bis(4-chlorophenyl)methyl]-2-methylazetidin-3-yl]-N-phenylmethanesulfonamide?
The InChIKey is SAQXOYXLZPGDGO-GAJHUEQPSA-N. The full InChI is InChI=1S/C24H24Cl2N2O2S/c1-17-23(28(31(2,29)30)22-6-4-3-5-7-22)16-27(17)24(18-8-12-20(25)13-9-18)19-10-14-21(26)15-11-19/h3-15,17,23-24H,16H2,1-2H3/t17-,23+/m0/s1.
What are the key properties of N-[(2S,3R)-1-[bis(4-chlorophenyl)methyl]-2-methylazetidin-3-yl]-N-phenylmethanesulfonamide?
N-[(2S,3R)-1-[bis(4-chlorophenyl)methyl]-2-methylazetidin-3-yl]-N-phenylmethanesulfonamide has a molecular weight of 475.44 g/mol, XLogP of 5.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-1-[bis(4-chlorophenyl)methyl]-2-methylazetidin-3-yl]-N-phenylmethanesulfonamide is sourced from PubChem (CID 69446675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).