4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-3-(dimethylsulfamoyl)benzamide

C19H21Cl2N3O4S — CID 42999901

IUPAC4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-3-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)ccc1Cl
InChIInChI=1S/C19H21Cl2N3O4S/c1-23(2)29(26,27)18-11-13(3-5-15(18)21)19(25)22-16-12-14(20)4-6-17(16)24-7-9-28-10-8-24/h3-6,11-12H,7-10H2,1-2H3,(H,22,25)
InChIKeyNEYZANJEVSDPHA-UHFFFAOYSA-N
MW458.37 g/mol
LogP3.33
Rot. Bonds5

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

4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-3-(dimethylsulfamoyl)benzamide (PubChem CID 42999901) has the molecular formula C19H21Cl2N3O4S and a molecular weight of 458.37 g/mol. Its IUPAC name is 4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-3-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-3-(dimethylsulfamoyl)benzamide
PubChem CID42999901
Molecular FormulaC19H21Cl2N3O4S
Molecular Weight458.37 g/mol
Exact Mass457.06
IUPAC Name4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-3-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)ccc1Cl
InChIInChI=1S/C19H21Cl2N3O4S/c1-23(2)29(26,27)18-11-13(3-5-15(18)21)19(25)22-16-12-14(20)4-6-17(16)24-7-9-28-10-8-24/h3-6,11-12H,7-10H2,1-2H3,(H,22,25)
InChIKeyNEYZANJEVSDPHA-UHFFFAOYSA-N
XLogP3.33
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-3-methylsulfonylbenzamide
CID 26207980
N-(5-chloro-2-morpholin-4-ylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 4801212
3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
CID 5096755
N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-(dimethylsulfamoyl)benzamide
CID 2125109
N-[2-(azepan-1-yl)-5-chlorophenyl]-4-(dimethylsulfamoyl)benzamide
CID 2441869
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-chloro-3-(dimethylsulfamoyl)-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 26590050
4-chloro-3-(dimethylsulfamoyl)-N-(2-fluoro-4-methylphenyl)benzamide
CID 26522880
4,5-dichloro-N-(5-chloro-2-morpholin-4-ylphenyl)-1-methylpyrrole-2-carboxamide
CID 55666325

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-3-(dimethylsulfamoyl)benzamide?
The IUPAC name of 4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-3-(dimethylsulfamoyl)benzamide (CID 42999901) is 4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-3-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for 4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-3-(dimethylsulfamoyl)benzamide?
The canonical SMILES for 4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-3-(dimethylsulfamoyl)benzamide is CN(C)S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)ccc1Cl.
What is the InChIKey of 4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-3-(dimethylsulfamoyl)benzamide?
The InChIKey is NEYZANJEVSDPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O4S/c1-23(2)29(26,27)18-11-13(3-5-15(18)21)19(25)22-16-12-14(20)4-6-17(16)24-7-9-28-10-8-24/h3-6,11-12H,7-10H2,1-2H3,(H,22,25).
What are the key properties of 4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-3-(dimethylsulfamoyl)benzamide?
4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-3-(dimethylsulfamoyl)benzamide has a molecular weight of 458.37 g/mol, XLogP of 3.33, 5 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-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 42999901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).