N-(3-methoxyphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide

C21H20N2O4S — CID 27167566

IUPACN-(3-methoxyphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCOc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(C)c3)c2)c1
InChIInChI=1S/C21H20N2O4S/c1-15-6-3-9-18(12-15)23-28(25,26)20-11-4-7-16(13-20)21(24)22-17-8-5-10-19(14-17)27-2/h3-14,23H,1-2H3,(H,22,24)
InChIKeyZIOXGGXTWMGLMM-UHFFFAOYSA-N
MW396.47 g/mol
LogP4.06
Rot. Bonds6

About N-(3-methoxyphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide

N-(3-methoxyphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide (PubChem CID 27167566) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
PubChem CID27167566
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC NameN-(3-methoxyphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCOc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(C)c3)c2)c1
InChIInChI=1S/C21H20N2O4S/c1-15-6-3-9-18(12-15)23-28(25,26)20-11-4-7-16(13-20)21(24)22-17-8-5-10-19(14-17)27-2/h3-14,23H,1-2H3,(H,22,24)
InChIKeyZIOXGGXTWMGLMM-UHFFFAOYSA-N
XLogP4.06
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonamido)-N-(3-methoxyphenyl)benzamide
CID 7541945
3-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 889782
3-[[3-[(3-methylphenyl)sulfamoyl]benzoyl]amino]benzoate
CID 6963605
3-methoxy-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 5156929
3-[(3-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 109062201
N-(4-bromophenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 1116088
4-[[3-[(3-methoxyphenyl)sulfonylamino]benzoyl]amino]benzoic acid
CID 158643553
N-(3-bromophenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26537602
N-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 51163012
N-cyclopropyl-3-[(3-methoxyphenyl)sulfamoyl]benzamide
CID 109062340
3-(2-methoxyethylsulfamoyl)-N-(3-methoxyphenyl)benzamide
CID 55565688
N-[2-(4-methoxyphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 27548654

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(3-methoxyphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide (CID 27167566) is N-(3-methoxyphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(3-methoxyphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(3-methoxyphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide is COc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(C)c3)c2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide?
The InChIKey is ZIOXGGXTWMGLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c1-15-6-3-9-18(12-15)23-28(25,26)20-11-4-7-16(13-20)21(24)22-17-8-5-10-19(14-17)27-2/h3-14,23H,1-2H3,(H,22,24).
What are the key properties of N-(3-methoxyphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide?
N-(3-methoxyphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide has a molecular weight of 396.47 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 27167566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).