3-[(4-bromophenyl)sulfamoyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide

C24H24BrN3O6S2 — CID 4691629

IUPAC3-[(4-bromophenyl)sulfamoyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(Br)cc3)c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C24H24BrN3O6S2/c1-17-5-8-21(16-23(17)36(32,33)28-11-13-34-14-12-28)26-24(29)18-3-2-4-22(15-18)35(30,31)27-20-9-6-19(25)7-10-20/h2-10,15-16,27H,11-14H2,1H3,(H,26,29)
InChIKeyYYYTWPWSPBQTSU-UHFFFAOYSA-N
MW594.51 g/mol
LogP3.83
Rot. Bonds7

About 3-[(4-bromophenyl)sulfamoyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide

3-[(4-bromophenyl)sulfamoyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide (PubChem CID 4691629) has the molecular formula C24H24BrN3O6S2 and a molecular weight of 594.51 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfamoyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfamoyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
PubChem CID4691629
Molecular FormulaC24H24BrN3O6S2
Molecular Weight594.51 g/mol
Exact Mass593.03
IUPAC Name3-[(4-bromophenyl)sulfamoyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(Br)cc3)c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C24H24BrN3O6S2/c1-17-5-8-21(16-23(17)36(32,33)28-11-13-34-14-12-28)26-24(29)18-3-2-4-22(15-18)35(30,31)27-20-9-6-19(25)7-10-20/h2-10,15-16,27H,11-14H2,1H3,(H,26,29)
InChIKeyYYYTWPWSPBQTSU-UHFFFAOYSA-N
XLogP3.83
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500594.51
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-bromo-3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 2710113
3-[(4-bromophenyl)sulfamoyl]-N-morpholin-4-ylbenzamide
CID 167867389
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)naphthalene-2-carboxamide
CID 7929134
3-benzamido-4-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 55631501
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(methylsulfanylmethyl)benzamide
CID 9183599
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide
CID 24687007
3-[(4-methyl-3-piperidin-1-ylsulfonylphenyl)sulfamoyl]benzoic acid
CID 3263059
N-(4-bromophenyl)-2-(4-methyl-3-morpholin-4-ylsulfonylanilino)acetamide
CID 26438150
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 4265009
N-(4-fluoro-3-methylphenyl)-3-(1,4-oxazepan-4-ylsulfonyl)benzamide
CID 123184223
N-(4-bromophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1250095
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 98405237

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfamoyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide?
The IUPAC name of 3-[(4-bromophenyl)sulfamoyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide (CID 4691629) is 3-[(4-bromophenyl)sulfamoyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfamoyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfamoyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide is Cc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(Br)cc3)c2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 3-[(4-bromophenyl)sulfamoyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide?
The InChIKey is YYYTWPWSPBQTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrN3O6S2/c1-17-5-8-21(16-23(17)36(32,33)28-11-13-34-14-12-28)26-24(29)18-3-2-4-22(15-18)35(30,31)27-20-9-6-19(25)7-10-20/h2-10,15-16,27H,11-14H2,1H3,(H,26,29).
What are the key properties of 3-[(4-bromophenyl)sulfamoyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide?
3-[(4-bromophenyl)sulfamoyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide has a molecular weight of 594.51 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfamoyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 4691629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).