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

C25H27N3O6S2 — CID 3500370

IUPACN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
SMILESCc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C25H27N3O6S2/c1-19-11-12-21(18-24(19)36(32,33)28-13-15-34-16-14-28)26-25(29)20-7-6-10-23(17-20)35(30,31)27(2)22-8-4-3-5-9-22/h3-12,17-18H,13-16H2,1-2H3,(H,26,29)
InChIKeyONUUAIQVCNDJPM-UHFFFAOYSA-N
MW529.64 g/mol
LogP3.09
Rot. Bonds7

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

N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 3500370) has the molecular formula C25H27N3O6S2 and a molecular weight of 529.64 g/mol. Its IUPAC name is N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID3500370
Molecular FormulaC25H27N3O6S2
Molecular Weight529.64 g/mol
Exact Mass529.13
IUPAC NameN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
SMILESCc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C25H27N3O6S2/c1-19-11-12-21(18-24(19)36(32,33)28-13-15-34-16-14-28)26-25(29)20-7-6-10-23(17-20)35(30,31)27(2)22-8-4-3-5-9-22/h3-12,17-18H,13-16H2,1-2H3,(H,26,29)
InChIKeyONUUAIQVCNDJPM-UHFFFAOYSA-N
XLogP3.09
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.64
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-[methyl(phenyl)sulfamoyl]benzamide (CID 3500370) is N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-[methyl(phenyl)sulfamoyl]benzamide is Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is ONUUAIQVCNDJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O6S2/c1-19-11-12-21(18-24(19)36(32,33)28-13-15-34-16-14-28)26-25(29)20-7-6-10-23(17-20)35(30,31)27(2)22-8-4-3-5-9-22/h3-12,17-18H,13-16H2,1-2H3,(H,26,29).
What are the key properties of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-[methyl(phenyl)sulfamoyl]benzamide?
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 529.64 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 3500370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).