N-[3-(4,5-dihydroxy-2-methylphenyl)sulfonylphenyl]acetamide

C15H15NO5S — CID 23312094

IUPACN-[3-(4,5-dihydroxy-2-methylphenyl)sulfonylphenyl]acetamide
SMILESCC(=O)Nc1cccc(S(=O)(=O)c2cc(O)c(O)cc2C)c1
InChIInChI=1S/C15H15NO5S/c1-9-6-13(18)14(19)8-15(9)22(20,21)12-5-3-4-11(7-12)16-10(2)17/h3-8,18-19H,1-2H3,(H,16,17)
InChIKeySGENNIYWVTWILU-UHFFFAOYSA-N
MW321.35 g/mol
LogP2.20
Rot. Bonds3

About N-[3-(4,5-dihydroxy-2-methylphenyl)sulfonylphenyl]acetamide

N-[3-(4,5-dihydroxy-2-methylphenyl)sulfonylphenyl]acetamide (PubChem CID 23312094) has the molecular formula C15H15NO5S and a molecular weight of 321.35 g/mol. Its IUPAC name is N-[3-(4,5-dihydroxy-2-methylphenyl)sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-(4,5-dihydroxy-2-methylphenyl)sulfonylphenyl]acetamide
PubChem CID23312094
Molecular FormulaC15H15NO5S
Molecular Weight321.35 g/mol
Exact Mass321.07
IUPAC NameN-[3-(4,5-dihydroxy-2-methylphenyl)sulfonylphenyl]acetamide
SMILESCC(=O)Nc1cccc(S(=O)(=O)c2cc(O)c(O)cc2C)c1
InChIInChI=1S/C15H15NO5S/c1-9-6-13(18)14(19)8-15(9)22(20,21)12-5-3-4-11(7-12)16-10(2)17/h3-8,18-19H,1-2H3,(H,16,17)
InChIKeySGENNIYWVTWILU-UHFFFAOYSA-N
XLogP2.20
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[3-(benzenesulfonyl)phenyl]acetamide;molecular hydrogen
CID 142001104
(3-acetamidophenyl)sulfonyl 3-acetamidobenzenesulfonate
CID 57013358
4-acetamido-N-(3-sulfamoylphenyl)benzamide
CID 4067351
N-(3-methylphenyl)acetamide
CID 10843
N-(3-acetamidophenyl)-2,6-dihydroxybenzamide
CID 103748896
N-[3-(cyclohexylsulfamoyl)phenyl]acetamide
CID 47314930
(3-methylsulfonylphenyl)carbamothioic S-acid
CID 87640544
N-(3-acetamidophenyl)-2-[(2-methylphenyl)sulfonylamino]acetamide
CID 112999723
(E)-3-(3-chloro-4-methylphenyl)-N-(3-sulfamoylphenyl)prop-2-enamide
CID 9413091
3-amino-2,2,3-trimethyl-N-(3-sulfamoylphenyl)butanamide
CID 65264374
2-methyl-2-(methylamino)-N-(3-sulfamoylphenyl)propanamide
CID 62834489
5-(benzenesulfonyl)-2-(2-fluorophenyl)-4-methylphenol
CID 174567949

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,5-dihydroxy-2-methylphenyl)sulfonylphenyl]acetamide?
The IUPAC name of N-[3-(4,5-dihydroxy-2-methylphenyl)sulfonylphenyl]acetamide (CID 23312094) is N-[3-(4,5-dihydroxy-2-methylphenyl)sulfonylphenyl]acetamide.
What is the SMILES notation for N-[3-(4,5-dihydroxy-2-methylphenyl)sulfonylphenyl]acetamide?
The canonical SMILES for N-[3-(4,5-dihydroxy-2-methylphenyl)sulfonylphenyl]acetamide is CC(=O)Nc1cccc(S(=O)(=O)c2cc(O)c(O)cc2C)c1.
What is the InChIKey of N-[3-(4,5-dihydroxy-2-methylphenyl)sulfonylphenyl]acetamide?
The InChIKey is SGENNIYWVTWILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5S/c1-9-6-13(18)14(19)8-15(9)22(20,21)12-5-3-4-11(7-12)16-10(2)17/h3-8,18-19H,1-2H3,(H,16,17).
What are the key properties of N-[3-(4,5-dihydroxy-2-methylphenyl)sulfonylphenyl]acetamide?
N-[3-(4,5-dihydroxy-2-methylphenyl)sulfonylphenyl]acetamide has a molecular weight of 321.35 g/mol, XLogP of 2.20, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,5-dihydroxy-2-methylphenyl)sulfonylphenyl]acetamide is sourced from PubChem (CID 23312094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).