N-methyl-3-[[3-(pyridin-2-ylsulfamoyl)benzoyl]amino]benzamide

C20H18N4O4S — CID 142738684

IUPACN-methyl-3-[[3-(pyridin-2-ylsulfamoyl)benzoyl]amino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccn3)c2)c1
InChIInChI=1S/C20H18N4O4S/c1-21-19(25)14-6-4-8-16(12-14)23-20(26)15-7-5-9-17(13-15)29(27,28)24-18-10-2-3-11-22-18/h2-13H,1H3,(H,21,25)(H,22,24)(H,23,26)
InChIKeyDWPPDTIXFYTJLV-UHFFFAOYSA-N
MW410.46 g/mol
LogP2.49
Rot. Bonds6

About N-methyl-3-[[3-(pyridin-2-ylsulfamoyl)benzoyl]amino]benzamide

N-methyl-3-[[3-(pyridin-2-ylsulfamoyl)benzoyl]amino]benzamide (PubChem CID 142738684) has the molecular formula C20H18N4O4S and a molecular weight of 410.46 g/mol. Its IUPAC name is N-methyl-3-[[3-(pyridin-2-ylsulfamoyl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-3-[[3-(pyridin-2-ylsulfamoyl)benzoyl]amino]benzamide
PubChem CID142738684
Molecular FormulaC20H18N4O4S
Molecular Weight410.46 g/mol
Exact Mass410.10
IUPAC NameN-methyl-3-[[3-(pyridin-2-ylsulfamoyl)benzoyl]amino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccn3)c2)c1
InChIInChI=1S/C20H18N4O4S/c1-21-19(25)14-6-4-8-16(12-14)23-20(26)15-7-5-9-17(13-15)29(27,28)24-18-10-2-3-11-22-18/h2-13H,1H3,(H,21,25)(H,22,24)(H,23,26)
InChIKeyDWPPDTIXFYTJLV-UHFFFAOYSA-N
XLogP2.49
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzenesulfonamido)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
CID 92677705
3-[(4-methyl-2-pyridinyl)sulfamoyl]-N-phenylbenzamide
CID 27187007
N-methyl-3-[[3-[(3-phenoxyphenyl)sulfamoyl]benzoyl]amino]benzamide
CID 142738756
3-(propan-2-ylsulfamoyl)-N-pyridin-2-ylbenzamide
CID 35035772
3,4-dimethyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
CID 1078179
3,4-dichloro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
CID 1078174
N-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 51163012
3-[(3-bromobenzoyl)amino]-N-pyridin-2-ylbenzamide
CID 3548444
3-[(3-bromophenyl)sulfonylamino]-N-methylbenzamide
CID 31580763
3-(benzenesulfonylcarbamoylamino)-N-methylbenzamide
CID 22564876
3-[(3,4-dichlorophenyl)sulfonylamino]-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 24635607
4-(methanesulfonamido)-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
CID 30396142

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[3-(pyridin-2-ylsulfamoyl)benzoyl]amino]benzamide?
The IUPAC name of N-methyl-3-[[3-(pyridin-2-ylsulfamoyl)benzoyl]amino]benzamide (CID 142738684) is N-methyl-3-[[3-(pyridin-2-ylsulfamoyl)benzoyl]amino]benzamide.
What is the SMILES notation for N-methyl-3-[[3-(pyridin-2-ylsulfamoyl)benzoyl]amino]benzamide?
The canonical SMILES for N-methyl-3-[[3-(pyridin-2-ylsulfamoyl)benzoyl]amino]benzamide is CNC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccn3)c2)c1.
What is the InChIKey of N-methyl-3-[[3-(pyridin-2-ylsulfamoyl)benzoyl]amino]benzamide?
The InChIKey is DWPPDTIXFYTJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4S/c1-21-19(25)14-6-4-8-16(12-14)23-20(26)15-7-5-9-17(13-15)29(27,28)24-18-10-2-3-11-22-18/h2-13H,1H3,(H,21,25)(H,22,24)(H,23,26).
What are the key properties of N-methyl-3-[[3-(pyridin-2-ylsulfamoyl)benzoyl]amino]benzamide?
N-methyl-3-[[3-(pyridin-2-ylsulfamoyl)benzoyl]amino]benzamide has a molecular weight of 410.46 g/mol, XLogP of 2.49, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[3-(pyridin-2-ylsulfamoyl)benzoyl]amino]benzamide is sourced from PubChem (CID 142738684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).