3-[[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-methylsulfonylamino]-N-pyridin-2-ylbenzamide

C29H26Cl2N4O3S — CID 44815142

IUPAC3-[[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-methylsulfonylamino]-N-pyridin-2-ylbenzamide
SMILESCS(=O)(=O)N(c1cccc(C(=O)Nc2ccccn2)c1)C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1
InChIInChI=1S/C29H26Cl2N4O3S/c1-39(37,38)35(25-6-4-5-22(17-25)29(36)33-27-7-2-3-16-32-27)26-18-34(19-26)28(20-8-12-23(30)13-9-20)21-10-14-24(31)15-11-21/h2-17,26,28H,18-19H2,1H3,(H,32,33,36)
InChIKeyXEIVTMWWLWZMIC-UHFFFAOYSA-N
MW581.53 g/mol
LogP5.88
Rot. Bonds8

About 3-[[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-methylsulfonylamino]-N-pyridin-2-ylbenzamide

3-[[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-methylsulfonylamino]-N-pyridin-2-ylbenzamide (PubChem CID 44815142) has the molecular formula C29H26Cl2N4O3S and a molecular weight of 581.53 g/mol. Its IUPAC name is 3-[[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-methylsulfonylamino]-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name3-[[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-methylsulfonylamino]-N-pyridin-2-ylbenzamide
PubChem CID44815142
Molecular FormulaC29H26Cl2N4O3S
Molecular Weight581.53 g/mol
Exact Mass580.11
IUPAC Name3-[[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-methylsulfonylamino]-N-pyridin-2-ylbenzamide
SMILESCS(=O)(=O)N(c1cccc(C(=O)Nc2ccccn2)c1)C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1
InChIInChI=1S/C29H26Cl2N4O3S/c1-39(37,38)35(25-6-4-5-22(17-25)29(36)33-27-7-2-3-16-32-27)26-18-34(19-26)28(20-8-12-23(30)13-9-20)21-10-14-24(31)15-11-21/h2-17,26,28H,18-19H2,1H3,(H,32,33,36)
InChIKeyXEIVTMWWLWZMIC-UHFFFAOYSA-N
XLogP5.88
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.53
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-methylsulfonylamino]-N-pyridin-2-ylbenzamide 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

3-[[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-methylsulfonylamino]-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 44814977
3-[[1-[bis(4-chlorophenyl)methylsulfonyl]azetidin-3-yl]-methylsulfonylamino]-N-(1,3-thiazol-2-yl)benzamide
CID 87501949
3-[[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-methylsulfonylamino]-5-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 74951790
N-(1-amino-1-oxopropan-2-yl)-3-[[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-methylsulfonylamino]-5-fluorobenzamide
CID 74832589
3-[[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-methylsulfonylamino]-5-fluoro-N-(2-hydroxy-2-pyridin-4-ylethyl)benzamide
CID 67239291
N-(1-benzhydrylazetidin-3-yl)-N-phenylmethanesulfonamide
CID 21183789
N-(1-amino-1-oxobutan-2-yl)-3-[[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-methylsulfonylamino]-5-bromobenzamide
CID 74952237
N-[1-[(4-chlorophenyl)-pyridin-3-ylmethyl]azetidin-3-yl]-N-(3,5-difluorophenyl)methanesulfonamide
CID 10226707
3-[[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-methylsulfonylamino]-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-fluorobenzamide
CID 67239428
3-[[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-methylsulfonylamino]-N-(2-hydroxycyclopentyl)-5-(trifluoromethyl)benzamide
CID 68630955
N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-3-[[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-methylsulfonylamino]-5-cyanobenzamide
CID 74952499
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylbenzamide
CID 51194004

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-methylsulfonylamino]-N-pyridin-2-ylbenzamide?
The IUPAC name of 3-[[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-methylsulfonylamino]-N-pyridin-2-ylbenzamide (CID 44815142) is 3-[[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-methylsulfonylamino]-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 3-[[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-methylsulfonylamino]-N-pyridin-2-ylbenzamide?
The canonical SMILES for 3-[[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-methylsulfonylamino]-N-pyridin-2-ylbenzamide is CS(=O)(=O)N(c1cccc(C(=O)Nc2ccccn2)c1)C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1.
What is the InChIKey of 3-[[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-methylsulfonylamino]-N-pyridin-2-ylbenzamide?
The InChIKey is XEIVTMWWLWZMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26Cl2N4O3S/c1-39(37,38)35(25-6-4-5-22(17-25)29(36)33-27-7-2-3-16-32-27)26-18-34(19-26)28(20-8-12-23(30)13-9-20)21-10-14-24(31)15-11-21/h2-17,26,28H,18-19H2,1H3,(H,32,33,36).
What are the key properties of 3-[[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-methylsulfonylamino]-N-pyridin-2-ylbenzamide?
3-[[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-methylsulfonylamino]-N-pyridin-2-ylbenzamide has a molecular weight of 581.53 g/mol, XLogP of 5.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-methylsulfonylamino]-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 44815142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).