4-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-hydroxyphenyl)benzamide

C21H20N2O4S — CID 17478361

IUPAC4-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-hydroxyphenyl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3O)cc2)cc1C
InChIInChI=1S/C21H20N2O4S/c1-14-7-12-18(13-15(14)2)28(26,27)23-17-10-8-16(9-11-17)21(25)22-19-5-3-4-6-20(19)24/h3-13,23-24H,1-2H3,(H,22,25)
InChIKeyDWQMHZNGANFFMT-UHFFFAOYSA-N
MW396.47 g/mol
LogP4.06
Rot. Bonds5

About 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-hydroxyphenyl)benzamide

4-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-hydroxyphenyl)benzamide (PubChem CID 17478361) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name4-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-hydroxyphenyl)benzamide
PubChem CID17478361
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC Name4-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-hydroxyphenyl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3O)cc2)cc1C
InChIInChI=1S/C21H20N2O4S/c1-14-7-12-18(13-15(14)2)28(26,27)23-17-10-8-16(9-11-17)21(25)22-19-5-3-4-6-20(19)24/h3-13,23-24H,1-2H3,(H,22,25)
InChIKeyDWQMHZNGANFFMT-UHFFFAOYSA-N
XLogP4.06
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-Hydroxy-phenyl)-3-(3-hydroxy-phenylsulfamoyl)-benzamide
CID 1069242
N-(2-hydroxyphenyl)-3-(4-morpholinylsulfonyl)benzamide
CID 1087707
N-(3-hydroxyphenyl)-4-[methyl(phenylsulfonyl)amino]benzamide
CID 1310433
4-{[(3-hydroxyphenyl)amino]sulfonyl}-N-phenylbenzamide
CID 2221592
4-[[4-[(2-Methoxyphenyl)-methylsulfamoyl]benzoyl]amino]benzamide
CID 3939714
N-(2-hydroxyphenyl)-3-[(2-hydroxyphenyl)sulfamoyl]benzamide
CID 1099210
N-(2-hydroxy-5-methylphenyl)-3-(1-piperidinylsulfonyl)benzamide
CID 1262336
N-(2-fluorophenyl)-3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-4-methylbenzenesulfonamide
CID 25163603
N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 3319120
N-(2-hydroxyphenyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 16391242
N-(2-fluorophenyl)-4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 24686694
N-(2,3-dimethylphenyl)-4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 24818169

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-hydroxyphenyl)benzamide?
The IUPAC name of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-hydroxyphenyl)benzamide (CID 17478361) is 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-hydroxyphenyl)benzamide.
What is the SMILES notation for 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-hydroxyphenyl)benzamide?
The canonical SMILES for 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-hydroxyphenyl)benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3O)cc2)cc1C.
What is the InChIKey of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-hydroxyphenyl)benzamide?
The InChIKey is DWQMHZNGANFFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c1-14-7-12-18(13-15(14)2)28(26,27)23-17-10-8-16(9-11-17)21(25)22-19-5-3-4-6-20(19)24/h3-13,23-24H,1-2H3,(H,22,25).
What are the key properties of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-hydroxyphenyl)benzamide?
4-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-hydroxyphenyl)benzamide has a molecular weight of 396.47 g/mol, XLogP of 4.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-hydroxyphenyl)benzamide is sourced from PubChem (CID 17478361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).