3-cyano-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide

C17H17N3O4S — CID 7750655

IUPAC3-cyano-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cccc(C#N)c1
InChIInChI=1S/C17H17N3O4S/c1-20(2)25(22,23)14-7-8-16(24-3)15(10-14)19-17(21)13-6-4-5-12(9-13)11-18/h4-10H,1-3H3,(H,19,21)
InChIKeyHYIFOGGHQCGKQI-UHFFFAOYSA-N
MW359.41 g/mol
LogP2.07
Rot. Bonds5

About 3-cyano-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide

3-cyano-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide (PubChem CID 7750655) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is 3-cyano-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
PubChem CID7750655
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC Name3-cyano-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cccc(C#N)c1
InChIInChI=1S/C17H17N3O4S/c1-20(2)25(22,23)14-7-8-16(24-3)15(10-14)19-17(21)13-6-4-5-12(9-13)11-18/h4-10H,1-3H3,(H,19,21)
InChIKeyHYIFOGGHQCGKQI-UHFFFAOYSA-N
XLogP2.07
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(dimethylsulfamoyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 55341476
3-bromo-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 7750690
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3,4-dimethoxybenzamide
CID 7921753
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-nitrobenzamide
CID 7921738
N-(2,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)benzamide
CID 2083463
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-fluorobenzamide
CID 7750677
3-(diethylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 4003550
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-(trifluoromethyl)benzamide
CID 4795128
3-(dimethylsulfamoyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 5029544
[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 4-cyanobenzoate
CID 7716966
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-methoxy-5-methylbenzamide
CID 9047184
(2S)-2-(4-cyanophenoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 8838711

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide?
The IUPAC name of 3-cyano-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide (CID 7750655) is 3-cyano-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide.
What is the SMILES notation for 3-cyano-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide?
The canonical SMILES for 3-cyano-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide is COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide?
The InChIKey is HYIFOGGHQCGKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-20(2)25(22,23)14-7-8-16(24-3)15(10-14)19-17(21)13-6-4-5-12(9-13)11-18/h4-10H,1-3H3,(H,19,21).
What are the key properties of 3-cyano-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide?
3-cyano-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide has a molecular weight of 359.41 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide is sourced from PubChem (CID 7750655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).