4-(2-cyanoethylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)benzamide

C17H17N3O4S — CID 46529163

IUPAC4-(2-cyanoethylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c(O)c1
InChIInChI=1S/C17H17N3O4S/c1-12-3-8-15(16(21)11-12)20-17(22)13-4-6-14(7-5-13)25(23,24)19-10-2-9-18/h3-8,11,19,21H,2,10H2,1H3,(H,20,22)
InChIKeyHZZXSVYKVXKRID-UHFFFAOYSA-N
MW359.41 g/mol
LogP2.14
Rot. Bonds6

About 4-(2-cyanoethylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)benzamide

4-(2-cyanoethylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)benzamide (PubChem CID 46529163) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is 4-(2-cyanoethylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)benzamide.

Molecular Properties

Compound Name4-(2-cyanoethylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)benzamide
PubChem CID46529163
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC Name4-(2-cyanoethylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c(O)c1
InChIInChI=1S/C17H17N3O4S/c1-12-3-8-15(16(21)11-12)20-17(22)13-4-6-14(7-5-13)25(23,24)19-10-2-9-18/h3-8,11,19,21H,2,10H2,1H3,(H,20,22)
InChIKeyHZZXSVYKVXKRID-UHFFFAOYSA-N
XLogP2.14
TPSA119.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-(2-cyanoethylsulfamoyl)-N-ethylbenzamide
CID 47112556
N-(2,4-dimethylphenyl)-4-(3-methylbutylsulfamoyl)benzamide
CID 109061283
4-hydroxy-N-(2-hydroxy-4-methylphenyl)benzamide
CID 60654456
4-(2-cyanoethylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 34298929
N-(2-hydroxy-4-methylphenyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 46652713
4-(2-cyanoethylsulfamoyl)-N-(2-thiophen-2-ylphenyl)benzamide
CID 55566246
4-(2-cyanoethylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 34304039
N-(2-hydroxy-4-methylphenyl)-4-(methoxymethyl)benzamide
CID 8638574
4-(2-cyanoethylsulfamoyl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 33371496
2-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-4-methylphenyl)acetamide
CID 9495477
N-[2-chloro-4-(2-cyanoethylsulfamoyl)phenyl]acetamide
CID 3465665
N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-4-(2-cyanoethylsulfamoyl)benzamide
CID 56501680

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanoethylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)benzamide?
The IUPAC name of 4-(2-cyanoethylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)benzamide (CID 46529163) is 4-(2-cyanoethylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)benzamide.
What is the SMILES notation for 4-(2-cyanoethylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)benzamide?
The canonical SMILES for 4-(2-cyanoethylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c(O)c1.
What is the InChIKey of 4-(2-cyanoethylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)benzamide?
The InChIKey is HZZXSVYKVXKRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-12-3-8-15(16(21)11-12)20-17(22)13-4-6-14(7-5-13)25(23,24)19-10-2-9-18/h3-8,11,19,21H,2,10H2,1H3,(H,20,22).
What are the key properties of 4-(2-cyanoethylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)benzamide?
4-(2-cyanoethylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)benzamide has a molecular weight of 359.41 g/mol, XLogP of 2.14, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyanoethylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)benzamide is sourced from PubChem (CID 46529163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).