N-(3-cyanophenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide

C21H17N3O4S — CID 9164272

IUPACN-(3-cyanophenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C21H17N3O4S/c1-28-20-11-3-2-10-19(20)24-29(26,27)18-9-5-7-16(13-18)21(25)23-17-8-4-6-15(12-17)14-22/h2-13,24H,1H3,(H,23,25)
InChIKeyNVZDRXMPYXQEOK-UHFFFAOYSA-N
MW407.45 g/mol
LogP3.62
Rot. Bonds6

About N-(3-cyanophenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide

N-(3-cyanophenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide (PubChem CID 9164272) has the molecular formula C21H17N3O4S and a molecular weight of 407.45 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
PubChem CID9164272
Molecular FormulaC21H17N3O4S
Molecular Weight407.45 g/mol
Exact Mass407.09
IUPAC NameN-(3-cyanophenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C21H17N3O4S/c1-28-20-11-3-2-10-19(20)24-29(26,27)18-9-5-7-16(13-18)21(25)23-17-8-4-6-15(12-17)14-22/h2-13,24H,1H3,(H,23,25)
InChIKeyNVZDRXMPYXQEOK-UHFFFAOYSA-N
XLogP3.62
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538254
N-[3-(3-cyanopropoxy)phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 55960868
3-cyano-N-[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyphenyl]benzamide
CID 35864739
N-(3-cyanophenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9164276
N-(3-hydroxy-5-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 75452209
3-cyano-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 9414207
3-methoxy-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 2449372
N-[4-[(3-cyanophenyl)sulfonylamino]-5-methoxy-2-methylphenyl]benzamide
CID 3738165
N-[(1R)-1-cyanopropyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 167976299
N-(3-cyanophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide
CID 109065841
4-[(2-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26538003
1-N-(3-cyanophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057633

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(3-cyanophenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide (CID 9164272) is N-(3-cyanophenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(3-cyanophenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide is COc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2cccc(C#N)c2)c1.
What is the InChIKey of N-(3-cyanophenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The InChIKey is NVZDRXMPYXQEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4S/c1-28-20-11-3-2-10-19(20)24-29(26,27)18-9-5-7-16(13-18)21(25)23-17-8-4-6-15(12-17)14-22/h2-13,24H,1H3,(H,23,25).
What are the key properties of N-(3-cyanophenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
N-(3-cyanophenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide has a molecular weight of 407.45 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 9164272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).