N-(3-cyanophenyl)sulfonyl-3,4-dimethoxybenzamide

C16H14N2O5S — CID 71940242

IUPACN-(3-cyanophenyl)sulfonyl-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NS(=O)(=O)c2cccc(C#N)c2)cc1OC
InChIInChI=1S/C16H14N2O5S/c1-22-14-7-6-12(9-15(14)23-2)16(19)18-24(20,21)13-5-3-4-11(8-13)10-17/h3-9H,1-2H3,(H,18,19)
InChIKeyYOQBSVCLLLHGSO-UHFFFAOYSA-N
MW346.36 g/mol
LogP1.69
Rot. Bonds5

About N-(3-cyanophenyl)sulfonyl-3,4-dimethoxybenzamide

N-(3-cyanophenyl)sulfonyl-3,4-dimethoxybenzamide (PubChem CID 71940242) has the molecular formula C16H14N2O5S and a molecular weight of 346.36 g/mol. Its IUPAC name is N-(3-cyanophenyl)sulfonyl-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)sulfonyl-3,4-dimethoxybenzamide
PubChem CID71940242
Molecular FormulaC16H14N2O5S
Molecular Weight346.36 g/mol
Exact Mass346.06
IUPAC NameN-(3-cyanophenyl)sulfonyl-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NS(=O)(=O)c2cccc(C#N)c2)cc1OC
InChIInChI=1S/C16H14N2O5S/c1-22-14-7-6-12(9-15(14)23-2)16(19)18-24(20,21)13-5-3-4-11(8-13)10-17/h3-9H,1-2H3,(H,18,19)
InChIKeyYOQBSVCLLLHGSO-UHFFFAOYSA-N
XLogP1.69
TPSA105.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-(3-cyanophenyl)sulfonyl-4,5-dimethoxybenzamide
CID 75403992
N'-(3-cyanophenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide
CID 8523669
N'-(4-cyanophenyl)sulfonyl-3,4-dimethoxybenzohydrazide
CID 8523714
N-(3,4-dimethoxyphenyl)sulfonyl-3-fluorobenzamide
CID 75401968
N'-(3-cyanobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 9440251
4-butoxy-N'-(3-cyanobenzoyl)-3-methoxybenzohydrazide
CID 9440115
N-[6-(3-cyanoanilino)pyridazin-3-yl]-3,4-dimethoxybenzamide
CID 113051223
N-[4-[(3-cyanophenyl)sulfonylamino]-5-methoxy-2-methylphenyl]benzamide
CID 3738165
N-(3-cyanophenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 9164272
3,4,5-trimethoxy-N-(3-phenylphenyl)sulfonylbenzamide
CID 91328901
N-(5-cyano-2-methoxyphenyl)-3-(cyclopropylsulfamoyl)benzamide
CID 49182841
N'-[1-(4-cyanophenyl)ethenyl]-3,4-dimethoxybenzohydrazide
CID 2453941

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)sulfonyl-3,4-dimethoxybenzamide?
The IUPAC name of N-(3-cyanophenyl)sulfonyl-3,4-dimethoxybenzamide (CID 71940242) is N-(3-cyanophenyl)sulfonyl-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(3-cyanophenyl)sulfonyl-3,4-dimethoxybenzamide?
The canonical SMILES for N-(3-cyanophenyl)sulfonyl-3,4-dimethoxybenzamide is COc1ccc(C(=O)NS(=O)(=O)c2cccc(C#N)c2)cc1OC.
What is the InChIKey of N-(3-cyanophenyl)sulfonyl-3,4-dimethoxybenzamide?
The InChIKey is YOQBSVCLLLHGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O5S/c1-22-14-7-6-12(9-15(14)23-2)16(19)18-24(20,21)13-5-3-4-11(8-13)10-17/h3-9H,1-2H3,(H,18,19).
What are the key properties of N-(3-cyanophenyl)sulfonyl-3,4-dimethoxybenzamide?
N-(3-cyanophenyl)sulfonyl-3,4-dimethoxybenzamide has a molecular weight of 346.36 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)sulfonyl-3,4-dimethoxybenzamide is sourced from PubChem (CID 71940242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).