3-(dimethylamino)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide

C17H20N2O4S — CID 31618429

IUPAC3-(dimethylamino)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)c2cccc(N(C)C)c2)c1
InChIInChI=1S/C17H20N2O4S/c1-4-24(22,23)14-8-9-16(20)15(11-14)18-17(21)12-6-5-7-13(10-12)19(2)3/h5-11,20H,4H2,1-3H3,(H,18,21)
InChIKeyZXOJAOBNSKAZLU-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.50
Rot. Bonds5

About 3-(dimethylamino)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide

3-(dimethylamino)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide (PubChem CID 31618429) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 3-(dimethylamino)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
PubChem CID31618429
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name3-(dimethylamino)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)c2cccc(N(C)C)c2)c1
InChIInChI=1S/C17H20N2O4S/c1-4-24(22,23)14-8-9-16(20)15(11-14)18-17(21)12-6-5-7-13(10-12)19(2)3/h5-11,20H,4H2,1-3H3,(H,18,21)
InChIKeyZXOJAOBNSKAZLU-UHFFFAOYSA-N
XLogP2.50
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(dimethylamino)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
CID 31618431
N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(methoxymethyl)benzamide
CID 31618597
3-(dimethylamino)-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide
CID 5194496
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-iodobenzamide
CID 78794976
3,5-dichloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-methoxybenzamide
CID 35978682
N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55383504
methyl N-(5-ethylsulfonyl-2-hydroxyphenyl)carbamate
CID 71211128
2-chloro-5-(dimethylsulfamoyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
CID 55362920
4-(azepan-1-ylsulfonyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
CID 4843950
N-[2-chloro-5-[(5-ethylsulfonyl-2-hydroxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 46665119
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-methyl-3-nitrobenzamide
CID 108786368
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(methylamino)acetamide
CID 120703363

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide?
The IUPAC name of 3-(dimethylamino)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide (CID 31618429) is 3-(dimethylamino)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide?
The canonical SMILES for 3-(dimethylamino)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide is CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cccc(N(C)C)c2)c1.
What is the InChIKey of 3-(dimethylamino)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide?
The InChIKey is ZXOJAOBNSKAZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-4-24(22,23)14-8-9-16(20)15(11-14)18-17(21)12-6-5-7-13(10-12)19(2)3/h5-11,20H,4H2,1-3H3,(H,18,21).
What are the key properties of 3-(dimethylamino)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide?
3-(dimethylamino)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide has a molecular weight of 348.42 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide is sourced from PubChem (CID 31618429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).