2,4-dichloro-5-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-phenylethyl)benzamide

C21H25Cl2N3O4S — CID 16763255

IUPAC2,4-dichloro-5-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-phenylethyl)benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)NCC(c2ccccc2)N2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C21H25Cl2N3O4S/c1-25(2)31(28,29)20-12-16(17(22)13-18(20)23)21(27)24-14-19(15-6-4-3-5-7-15)26-8-10-30-11-9-26/h3-7,12-13,19H,8-11,14H2,1-2H3,(H,24,27)
InChIKeyDXDRVZBLILFCFD-UHFFFAOYSA-N
MW486.42 g/mol
LogP3.05
Rot. Bonds7

About 2,4-dichloro-5-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-phenylethyl)benzamide

2,4-dichloro-5-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-phenylethyl)benzamide (PubChem CID 16763255) has the molecular formula C21H25Cl2N3O4S and a molecular weight of 486.42 g/mol. Its IUPAC name is 2,4-dichloro-5-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-phenylethyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-phenylethyl)benzamide
PubChem CID16763255
Molecular FormulaC21H25Cl2N3O4S
Molecular Weight486.42 g/mol
Exact Mass485.09
IUPAC Name2,4-dichloro-5-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-phenylethyl)benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)NCC(c2ccccc2)N2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C21H25Cl2N3O4S/c1-25(2)31(28,29)20-12-16(17(22)13-18(20)23)21(27)24-14-19(15-6-4-3-5-7-15)26-8-10-30-11-9-26/h3-7,12-13,19H,8-11,14H2,1-2H3,(H,24,27)
InChIKeyDXDRVZBLILFCFD-UHFFFAOYSA-N
XLogP3.05
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-N-(2-morpholin-4-yl-2-phenylethyl)benzamide
CID 46578639
2,4-dichloro-N-(2-cyclohexyl-2-phenylethyl)-5-(dimethylsulfamoyl)benzamide
CID 5306242
2,4-dichloro-N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]benzamide
CID 43956151
N-(2-morpholin-4-yl-2-phenylethyl)-2-piperidin-1-ylsulfonylbenzamide
CID 55574957
5-chloro-N-(2-morpholin-4-yl-2-phenylethyl)furan-2-carboxamide
CID 86922955
2-fluoro-N-(2-morpholin-4-yl-2-phenylethyl)pyridine-3-carboxamide
CID 91197833
2-fluoro-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460592
2-chloro-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide
CID 30575595
3-methyl-N-(2-morpholin-4-yl-2-phenylethyl)thiophene-2-carboxamide
CID 43057560
1-[(2S)-2-morpholin-4-yl-2-phenylethyl]-3-[(1R)-1-phenylethyl]urea
CID 51934988
5-chloro-2-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide
CID 17460307
(2S)-2-amino-3,3-dimethyl-N-(2-morpholin-4-yl-2-phenylethyl)butanamide
CID 119853237

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-phenylethyl)benzamide?
The IUPAC name of 2,4-dichloro-5-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-phenylethyl)benzamide (CID 16763255) is 2,4-dichloro-5-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-phenylethyl)benzamide.
What is the SMILES notation for 2,4-dichloro-5-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-phenylethyl)benzamide?
The canonical SMILES for 2,4-dichloro-5-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-phenylethyl)benzamide is CN(C)S(=O)(=O)c1cc(C(=O)NCC(c2ccccc2)N2CCOCC2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-phenylethyl)benzamide?
The InChIKey is DXDRVZBLILFCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N3O4S/c1-25(2)31(28,29)20-12-16(17(22)13-18(20)23)21(27)24-14-19(15-6-4-3-5-7-15)26-8-10-30-11-9-26/h3-7,12-13,19H,8-11,14H2,1-2H3,(H,24,27).
What are the key properties of 2,4-dichloro-5-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-phenylethyl)benzamide?
2,4-dichloro-5-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-phenylethyl)benzamide has a molecular weight of 486.42 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-phenylethyl)benzamide is sourced from PubChem (CID 16763255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).