4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-3-methylsulfonylbenzamide

C18H18Cl2N2O4S — CID 26207980

IUPAC4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)ccc1Cl
InChIInChI=1S/C18H18Cl2N2O4S/c1-27(24,25)17-10-12(2-4-14(17)20)18(23)21-15-11-13(19)3-5-16(15)22-6-8-26-9-7-22/h2-5,10-11H,6-9H2,1H3,(H,21,23)
InChIKeyMCYIAUYBTPFUHS-UHFFFAOYSA-N
MW429.33 g/mol
LogP3.49
Rot. Bonds4

About 4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-3-methylsulfonylbenzamide

4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-3-methylsulfonylbenzamide (PubChem CID 26207980) has the molecular formula C18H18Cl2N2O4S and a molecular weight of 429.33 g/mol. Its IUPAC name is 4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-3-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-3-methylsulfonylbenzamide
PubChem CID26207980
Molecular FormulaC18H18Cl2N2O4S
Molecular Weight429.33 g/mol
Exact Mass428.04
IUPAC Name4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)ccc1Cl
InChIInChI=1S/C18H18Cl2N2O4S/c1-27(24,25)17-10-12(2-4-14(17)20)18(23)21-15-11-13(19)3-5-16(15)22-6-8-26-9-7-22/h2-5,10-11H,6-9H2,1H3,(H,21,23)
InChIKeyMCYIAUYBTPFUHS-UHFFFAOYSA-N
XLogP3.49
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.33
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-3-(dimethylsulfamoyl)benzamide
CID 42999901
3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
CID 5096755
4-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 4796502
N-[5-[(2,5-dichlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]naphthalene-2-carboxamide
CID 3996463
N-(5-chloro-2-morpholin-4-ylphenyl)-3,5-dimethoxybenzamide
CID 4034494
N-(5-chloro-2-morpholin-4-ylphenyl)-3-fluorobenzamide
CID 952445
4,5-dichloro-N-(5-chloro-2-morpholin-4-ylphenyl)-1-methylpyrrole-2-carboxamide
CID 55666325
N-(5-chloro-2-morpholin-4-ylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 4801212
N-(5-bromo-2-morpholin-4-ylphenyl)-4-chlorobenzamide
CID 55363665
2,4-dichloro-N-(5-chloro-2-morpholin-4-ylphenyl)-5-fluorobenzamide
CID 55386691
3-(azepan-1-ylsulfonyl)-4-chloro-N-[5-[(2-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]benzamide
CID 4691182
4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-2-iodobenzamide
CID 38910526

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-3-methylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-3-methylsulfonylbenzamide (CID 26207980) is 4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-3-methylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-3-methylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-3-methylsulfonylbenzamide is CS(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)ccc1Cl.
What is the InChIKey of 4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-3-methylsulfonylbenzamide?
The InChIKey is MCYIAUYBTPFUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O4S/c1-27(24,25)17-10-12(2-4-14(17)20)18(23)21-15-11-13(19)3-5-16(15)22-6-8-26-9-7-22/h2-5,10-11H,6-9H2,1H3,(H,21,23).
What are the key properties of 4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-3-methylsulfonylbenzamide?
4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-3-methylsulfonylbenzamide has a molecular weight of 429.33 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-3-methylsulfonylbenzamide is sourced from PubChem (CID 26207980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).