3-(diethylsulfamoyl)-N-(4-hydroxyphenyl)benzamide

C17H20N2O4S — CID 793746

IUPAC3-(diethylsulfamoyl)-N-(4-hydroxyphenyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccc(O)cc2)c1
InChIInChI=1S/C17H20N2O4S/c1-3-19(4-2)24(22,23)16-7-5-6-13(12-16)17(21)18-14-8-10-15(20)11-9-14/h5-12,20H,3-4H2,1-2H3,(H,18,21)
InChIKeyCDNNLCNUHHIXIQ-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.67
Rot. Bonds6

About 3-(diethylsulfamoyl)-N-(4-hydroxyphenyl)benzamide

3-(diethylsulfamoyl)-N-(4-hydroxyphenyl)benzamide (PubChem CID 793746) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-(4-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-(4-hydroxyphenyl)benzamide
PubChem CID793746
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name3-(diethylsulfamoyl)-N-(4-hydroxyphenyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccc(O)cc2)c1
InChIInChI=1S/C17H20N2O4S/c1-3-19(4-2)24(22,23)16-7-5-6-13(12-16)17(21)18-14-8-10-15(20)11-9-14/h5-12,20H,3-4H2,1-2H3,(H,18,21)
InChIKeyCDNNLCNUHHIXIQ-UHFFFAOYSA-N
XLogP2.67
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-(4-hydroxyphenyl)benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-(4-hydroxyphenyl)benzamide (CID 793746) is 3-(diethylsulfamoyl)-N-(4-hydroxyphenyl)benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-(4-hydroxyphenyl)benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-(4-hydroxyphenyl)benzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccc(O)cc2)c1.
What is the InChIKey of 3-(diethylsulfamoyl)-N-(4-hydroxyphenyl)benzamide?
The InChIKey is CDNNLCNUHHIXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-3-19(4-2)24(22,23)16-7-5-6-13(12-16)17(21)18-14-8-10-15(20)11-9-14/h5-12,20H,3-4H2,1-2H3,(H,18,21).
What are the key properties of 3-(diethylsulfamoyl)-N-(4-hydroxyphenyl)benzamide?
3-(diethylsulfamoyl)-N-(4-hydroxyphenyl)benzamide has a molecular weight of 348.42 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-(4-hydroxyphenyl)benzamide is sourced from PubChem (CID 793746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).