N-(5-bromo-2-morpholin-4-ylphenyl)-4-(propan-2-ylsulfamoyl)benzamide

C20H24BrN3O4S — CID 55363787

IUPACN-(5-bromo-2-morpholin-4-ylphenyl)-4-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)Nc2cc(Br)ccc2N2CCOCC2)cc1
InChIInChI=1S/C20H24BrN3O4S/c1-14(2)23-29(26,27)17-6-3-15(4-7-17)20(25)22-18-13-16(21)5-8-19(18)24-9-11-28-12-10-24/h3-8,13-14,23H,9-12H2,1-2H3,(H,22,25)
InChIKeyOQMIMQGDEXMOLK-UHFFFAOYSA-N
MW482.40 g/mol
LogP3.22
Rot. Bonds6

About N-(5-bromo-2-morpholin-4-ylphenyl)-4-(propan-2-ylsulfamoyl)benzamide

N-(5-bromo-2-morpholin-4-ylphenyl)-4-(propan-2-ylsulfamoyl)benzamide (PubChem CID 55363787) has the molecular formula C20H24BrN3O4S and a molecular weight of 482.40 g/mol. Its IUPAC name is N-(5-bromo-2-morpholin-4-ylphenyl)-4-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(5-bromo-2-morpholin-4-ylphenyl)-4-(propan-2-ylsulfamoyl)benzamide
PubChem CID55363787
Molecular FormulaC20H24BrN3O4S
Molecular Weight482.40 g/mol
Exact Mass481.07
IUPAC NameN-(5-bromo-2-morpholin-4-ylphenyl)-4-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)Nc2cc(Br)ccc2N2CCOCC2)cc1
InChIInChI=1S/C20H24BrN3O4S/c1-14(2)23-29(26,27)17-6-3-15(4-7-17)20(25)22-18-13-16(21)5-8-19(18)24-9-11-28-12-10-24/h3-8,13-14,23H,9-12H2,1-2H3,(H,22,25)
InChIKeyOQMIMQGDEXMOLK-UHFFFAOYSA-N
XLogP3.22
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.40
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-bromo-2-morpholin-4-ylphenyl)-4-chlorobenzamide
CID 55363665
N-[2-(azepan-1-yl)phenyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 38282657
4-bromo-N-(5-fluoro-2-morpholin-4-ylphenyl)benzamide
CID 113092689
2-amino-N-(5-bromo-2-morpholin-4-ylphenyl)propanamide;dihydrochloride
CID 119833777
2-fluoro-N-(2-morpholin-4-ylphenyl)-5-(propan-2-ylsulfamoyl)benzamide
CID 55604676
3-[(4-methylbenzoyl)amino]-4-morpholin-4-ylbenzoic acid
CID 53052846
N-(5-bromo-2-morpholin-4-ylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55582875
3-[(4-fluorophenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid
CID 46292418
4-(morpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 27258350
4-(difluoromethoxy)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 3979887
3-[(4-fluorobenzoyl)amino]-4-morpholin-4-ylbenzoic acid
CID 53052897
N-(5-bromo-2-morpholin-4-ylphenyl)-3-cyanobenzamide
CID 46813523

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-morpholin-4-ylphenyl)-4-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-(5-bromo-2-morpholin-4-ylphenyl)-4-(propan-2-ylsulfamoyl)benzamide (CID 55363787) is N-(5-bromo-2-morpholin-4-ylphenyl)-4-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-(5-bromo-2-morpholin-4-ylphenyl)-4-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-(5-bromo-2-morpholin-4-ylphenyl)-4-(propan-2-ylsulfamoyl)benzamide is CC(C)NS(=O)(=O)c1ccc(C(=O)Nc2cc(Br)ccc2N2CCOCC2)cc1.
What is the InChIKey of N-(5-bromo-2-morpholin-4-ylphenyl)-4-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is OQMIMQGDEXMOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3O4S/c1-14(2)23-29(26,27)17-6-3-15(4-7-17)20(25)22-18-13-16(21)5-8-19(18)24-9-11-28-12-10-24/h3-8,13-14,23H,9-12H2,1-2H3,(H,22,25).
What are the key properties of N-(5-bromo-2-morpholin-4-ylphenyl)-4-(propan-2-ylsulfamoyl)benzamide?
N-(5-bromo-2-morpholin-4-ylphenyl)-4-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 482.40 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-morpholin-4-ylphenyl)-4-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 55363787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).