3-cyano-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide

C21H17N3O4S — CID 9414207

IUPAC3-cyano-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(NC(=O)c3cccc(C#N)c3)c2)cc1
InChIInChI=1S/C21H17N3O4S/c1-28-19-10-8-17(9-11-19)24-29(26,27)20-7-3-6-18(13-20)23-21(25)16-5-2-4-15(12-16)14-22/h2-13,24H,1H3,(H,23,25)
InChIKeyIBRYOQXUKMWXHG-UHFFFAOYSA-N
MW407.45 g/mol
LogP3.62
Rot. Bonds6

About 3-cyano-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide

3-cyano-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide (PubChem CID 9414207) has the molecular formula C21H17N3O4S and a molecular weight of 407.45 g/mol. Its IUPAC name is 3-cyano-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
PubChem CID9414207
Molecular FormulaC21H17N3O4S
Molecular Weight407.45 g/mol
Exact Mass407.09
IUPAC Name3-cyano-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(NC(=O)c3cccc(C#N)c3)c2)cc1
InChIInChI=1S/C21H17N3O4S/c1-28-19-10-8-17(9-11-19)24-29(26,27)20-7-3-6-18(13-20)23-21(25)16-5-2-4-15(12-16)14-22/h2-13,24H,1H3,(H,23,25)
InChIKeyIBRYOQXUKMWXHG-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

3-methoxy-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 5156929
N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 4213453
N-(3-cyanophenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9164276
N-(3-bromophenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26537602
3-cyano-N-(3-methoxyphenyl)benzamide
CID 2709744
N-(3-cyanophenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 9164272
N-(3-cyanophenyl)-3-methoxybenzamide
CID 2707607
4-[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 6611513
N-(3-chloro-4-methylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 55347676
1-N-(3-cyanophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057633
N-[1-(4-cyanophenyl)ethylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 4230474
N-(3-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7553556

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 3-cyano-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide (CID 9414207) is 3-cyano-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 3-cyano-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 3-cyano-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide is COc1ccc(NS(=O)(=O)c2cccc(NC(=O)c3cccc(C#N)c3)c2)cc1.
What is the InChIKey of 3-cyano-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide?
The InChIKey is IBRYOQXUKMWXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4S/c1-28-19-10-8-17(9-11-19)24-29(26,27)20-7-3-6-18(13-20)23-21(25)16-5-2-4-15(12-16)14-22/h2-13,24H,1H3,(H,23,25).
What are the key properties of 3-cyano-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide?
3-cyano-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]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 3-cyano-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 9414207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).