4-bromo-3-(dimethylsulfamoyl)-N-(3-morpholin-4-ylphenyl)benzamide

C19H22BrN3O4S — CID 55978304

IUPAC4-bromo-3-(dimethylsulfamoyl)-N-(3-morpholin-4-ylphenyl)benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)Nc2cccc(N3CCOCC3)c2)ccc1Br
InChIInChI=1S/C19H22BrN3O4S/c1-22(2)28(25,26)18-12-14(6-7-17(18)20)19(24)21-15-4-3-5-16(13-15)23-8-10-27-11-9-23/h3-7,12-13H,8-11H2,1-2H3,(H,21,24)
InChIKeyPDEVDNJGVSIPCM-UHFFFAOYSA-N
MW468.37 g/mol
LogP2.79
Rot. Bonds5

About 4-bromo-3-(dimethylsulfamoyl)-N-(3-morpholin-4-ylphenyl)benzamide

4-bromo-3-(dimethylsulfamoyl)-N-(3-morpholin-4-ylphenyl)benzamide (PubChem CID 55978304) has the molecular formula C19H22BrN3O4S and a molecular weight of 468.37 g/mol. Its IUPAC name is 4-bromo-3-(dimethylsulfamoyl)-N-(3-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-(dimethylsulfamoyl)-N-(3-morpholin-4-ylphenyl)benzamide
PubChem CID55978304
Molecular FormulaC19H22BrN3O4S
Molecular Weight468.37 g/mol
Exact Mass467.05
IUPAC Name4-bromo-3-(dimethylsulfamoyl)-N-(3-morpholin-4-ylphenyl)benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)Nc2cccc(N3CCOCC3)c2)ccc1Br
InChIInChI=1S/C19H22BrN3O4S/c1-22(2)28(25,26)18-12-14(6-7-17(18)20)19(24)21-15-4-3-5-16(13-15)23-8-10-27-11-9-23/h3-7,12-13H,8-11H2,1-2H3,(H,21,24)
InChIKeyPDEVDNJGVSIPCM-UHFFFAOYSA-N
XLogP2.79
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_I(4)', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-(3-morpholin-4-ylphenyl)benzamide
CID 110362330
4-N-(3-morpholin-4-ylphenyl)benzene-1,4-dicarboxamide
CID 86821841
4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylphenyl)benzamide
CID 142713208
4-chloro-3-(dimethylsulfamoyl)-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 26590050
3-(carbamoylamino)-N-(3-morpholin-4-ylphenyl)benzamide
CID 86821869
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-methyl-3-morpholin-4-ylbenzamide
CID 46977366
4-bromo-N-(3,5-dimethylphenyl)-3-(dimethylsulfamoyl)benzamide
CID 26409361
N-[3-[methyl(methylsulfonyl)amino]phenyl]-4-morpholin-4-ylbenzamide
CID 21173939
3-bromo-5-fluoro-N-(3-morpholin-4-ylphenyl)benzamide
CID 110613015
4-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-morpholin-4-ylphenyl)benzamide
CID 55951793
4-bromo-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-(dimethylsulfamoyl)benzamide
CID 55857285
N-[3-(dimethylsulfamoyl)phenyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 31865595

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(dimethylsulfamoyl)-N-(3-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 4-bromo-3-(dimethylsulfamoyl)-N-(3-morpholin-4-ylphenyl)benzamide (CID 55978304) is 4-bromo-3-(dimethylsulfamoyl)-N-(3-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 4-bromo-3-(dimethylsulfamoyl)-N-(3-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 4-bromo-3-(dimethylsulfamoyl)-N-(3-morpholin-4-ylphenyl)benzamide is CN(C)S(=O)(=O)c1cc(C(=O)Nc2cccc(N3CCOCC3)c2)ccc1Br.
What is the InChIKey of 4-bromo-3-(dimethylsulfamoyl)-N-(3-morpholin-4-ylphenyl)benzamide?
The InChIKey is PDEVDNJGVSIPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O4S/c1-22(2)28(25,26)18-12-14(6-7-17(18)20)19(24)21-15-4-3-5-16(13-15)23-8-10-27-11-9-23/h3-7,12-13H,8-11H2,1-2H3,(H,21,24).
What are the key properties of 4-bromo-3-(dimethylsulfamoyl)-N-(3-morpholin-4-ylphenyl)benzamide?
4-bromo-3-(dimethylsulfamoyl)-N-(3-morpholin-4-ylphenyl)benzamide has a molecular weight of 468.37 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(dimethylsulfamoyl)-N-(3-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 55978304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).