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

C17H20N2O4S — CID 31618431

IUPAC4-(dimethylamino)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C17H20N2O4S/c1-4-24(22,23)14-9-10-16(20)15(11-14)18-17(21)12-5-7-13(8-6-12)19(2)3/h5-11,20H,4H2,1-3H3,(H,18,21)
InChIKeyGABMBPITFMPKIN-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.50
Rot. Bonds5

About 4-(dimethylamino)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide

4-(dimethylamino)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide (PubChem CID 31618431) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
PubChem CID31618431
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name4-(dimethylamino)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C17H20N2O4S/c1-4-24(22,23)14-9-10-16(20)15(11-14)18-17(21)12-5-7-13(8-6-12)19(2)3/h5-11,20H,4H2,1-3H3,(H,18,21)
InChIKeyGABMBPITFMPKIN-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

3-(dimethylamino)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
CID 31618429
4-(azepan-1-ylsulfonyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
CID 4843950
4-(dimethylamino)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 35994119
3,5-dichloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-methoxybenzamide
CID 35978682
methyl N-(5-ethylsulfonyl-2-hydroxyphenyl)carbamate
CID 71211128
N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(methoxymethyl)benzamide
CID 31618597
2-chloro-5-(dimethylsulfamoyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
CID 55362920
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-iodobenzamide
CID 78794976
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-methylpyrazole-3-carboxamide
CID 19475773
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-propan-2-ylbenzamide
CID 35993040
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(methylamino)acetamide
CID 120703363
N-[2-chloro-5-[(5-ethylsulfonyl-2-hydroxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 46665119

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide?
The IUPAC name of 4-(dimethylamino)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide (CID 31618431) is 4-(dimethylamino)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide?
The canonical SMILES for 4-(dimethylamino)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide is CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(N(C)C)cc2)c1.
What is the InChIKey of 4-(dimethylamino)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide?
The InChIKey is GABMBPITFMPKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-4-24(22,23)14-9-10-16(20)15(11-14)18-17(21)12-5-7-13(8-6-12)19(2)3/h5-11,20H,4H2,1-3H3,(H,18,21).
What are the key properties of 4-(dimethylamino)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide?
4-(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 4-(dimethylamino)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide is sourced from PubChem (CID 31618431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).