3-[methyl(phenyl)sulfamoyl]-N-(2-morpholin-4-ylphenyl)benzamide

C24H25N3O4S — CID 3389026

IUPAC3-[methyl(phenyl)sulfamoyl]-N-(2-morpholin-4-ylphenyl)benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2N2CCOCC2)c1
InChIInChI=1S/C24H25N3O4S/c1-26(20-9-3-2-4-10-20)32(29,30)21-11-7-8-19(18-21)24(28)25-22-12-5-6-13-23(22)27-14-16-31-17-15-27/h2-13,18H,14-17H2,1H3,(H,25,28)
InChIKeySIXIXOMARMRAGF-UHFFFAOYSA-N
MW451.55 g/mol
LogP3.60
Rot. Bonds6

About 3-[methyl(phenyl)sulfamoyl]-N-(2-morpholin-4-ylphenyl)benzamide

3-[methyl(phenyl)sulfamoyl]-N-(2-morpholin-4-ylphenyl)benzamide (PubChem CID 3389026) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is 3-[methyl(phenyl)sulfamoyl]-N-(2-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name3-[methyl(phenyl)sulfamoyl]-N-(2-morpholin-4-ylphenyl)benzamide
PubChem CID3389026
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC Name3-[methyl(phenyl)sulfamoyl]-N-(2-morpholin-4-ylphenyl)benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2N2CCOCC2)c1
InChIInChI=1S/C24H25N3O4S/c1-26(20-9-3-2-4-10-20)32(29,30)21-11-7-8-19(18-21)24(28)25-22-12-5-6-13-23(22)27-14-16-31-17-15-27/h2-13,18H,14-17H2,1H3,(H,25,28)
InChIKeySIXIXOMARMRAGF-UHFFFAOYSA-N
XLogP3.60
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-morpholin-4-ylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 4801212
3-(dimethylsulfamoyl)-N-(2-piperidin-1-ylphenyl)benzamide
CID 2426815
3-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 2714735
methyl 2-[[3-[methyl-[4-(morpholine-4-carbonyl)phenyl]sulfamoyl]benzoyl]amino]benzoate
CID 70097641
N-(3-hydroxyphenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 78783436
N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 2996589
N-(2,5-dichlorophenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 42991866
3-(dimethylamino)-N-(2,4-dimorpholin-4-ylphenyl)benzamide
CID 26072175
3,5-dimethyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 969408
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 36565346
N-(4-chloro-2-fluorophenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2711755
3-[methyl(phenyl)sulfamoyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 2331691

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(phenyl)sulfamoyl]-N-(2-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 3-[methyl(phenyl)sulfamoyl]-N-(2-morpholin-4-ylphenyl)benzamide (CID 3389026) is 3-[methyl(phenyl)sulfamoyl]-N-(2-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 3-[methyl(phenyl)sulfamoyl]-N-(2-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 3-[methyl(phenyl)sulfamoyl]-N-(2-morpholin-4-ylphenyl)benzamide is CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2N2CCOCC2)c1.
What is the InChIKey of 3-[methyl(phenyl)sulfamoyl]-N-(2-morpholin-4-ylphenyl)benzamide?
The InChIKey is SIXIXOMARMRAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S/c1-26(20-9-3-2-4-10-20)32(29,30)21-11-7-8-19(18-21)24(28)25-22-12-5-6-13-23(22)27-14-16-31-17-15-27/h2-13,18H,14-17H2,1H3,(H,25,28).
What are the key properties of 3-[methyl(phenyl)sulfamoyl]-N-(2-morpholin-4-ylphenyl)benzamide?
3-[methyl(phenyl)sulfamoyl]-N-(2-morpholin-4-ylphenyl)benzamide has a molecular weight of 451.55 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(phenyl)sulfamoyl]-N-(2-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 3389026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).