N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,3-dimethylbenzamide

C19H24N2O4S — CID 35993068

IUPACN-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,3-dimethylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2cccc(C)c2C)c1
InChIInChI=1S/C19H24N2O4S/c1-5-21(6-2)26(24,25)15-10-11-18(22)17(12-15)20-19(23)16-9-7-8-13(3)14(16)4/h7-12,22H,5-6H2,1-4H3,(H,20,23)
InChIKeyKYXQYDWMLSXVDW-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.29
Rot. Bonds6

About N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,3-dimethylbenzamide

N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,3-dimethylbenzamide (PubChem CID 35993068) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,3-dimethylbenzamide
PubChem CID35993068
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC NameN-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,3-dimethylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2cccc(C)c2C)c1
InChIInChI=1S/C19H24N2O4S/c1-5-21(6-2)26(24,25)15-10-11-18(22)17(12-15)20-19(23)16-9-7-8-13(3)14(16)4/h7-12,22H,5-6H2,1-4H3,(H,20,23)
InChIKeyKYXQYDWMLSXVDW-UHFFFAOYSA-N
XLogP3.29
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,3-dimethylbenzamide
CID 9467095
N-[4-(diethylsulfamoyl)phenyl]-2,3-dimethylbenzamide
CID 9415963
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-6-methylpyridine-2-carboxamide
CID 32930504
N-(2-hydroxy-5-nitrophenyl)-2,3-dimethylbenzamide
CID 103863236
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-propan-2-ylbenzamide
CID 35993040
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-methyl-3-nitrobenzamide
CID 108786368
6-chloro-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-methylquinoline-3-carboxamide
CID 37012318
2-chloro-5-(diethylsulfamoyl)-N-(2,6-dimethylphenyl)benzamide
CID 26894506
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 55531902
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-methyl-3-nitrobenzamide
CID 26891825
3-(diethylsulfamoyl)-N-(2-hydroxyphenyl)benzamide
CID 793744
N-[2-[5-(diethylsulfamoyl)-2-hydroxyanilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 35995593

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,3-dimethylbenzamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,3-dimethylbenzamide (CID 35993068) is N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,3-dimethylbenzamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,3-dimethylbenzamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,3-dimethylbenzamide is CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2cccc(C)c2C)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,3-dimethylbenzamide?
The InChIKey is KYXQYDWMLSXVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-5-21(6-2)26(24,25)15-10-11-18(22)17(12-15)20-19(23)16-9-7-8-13(3)14(16)4/h7-12,22H,5-6H2,1-4H3,(H,20,23).
What are the key properties of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,3-dimethylbenzamide?
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,3-dimethylbenzamide has a molecular weight of 376.48 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,3-dimethylbenzamide is sourced from PubChem (CID 35993068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).