4-(diethylsulfamoyl)-N-(4-ethoxy-2-nitrophenyl)benzamide

C19H23N3O6S — CID 2879851

IUPAC4-(diethylsulfamoyl)-N-(4-ethoxy-2-nitrophenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H23N3O6S/c1-4-21(5-2)29(26,27)16-10-7-14(8-11-16)19(23)20-17-12-9-15(28-6-3)13-18(17)22(24)25/h7-13H,4-6H2,1-3H3,(H,20,23)
InChIKeyBXJRJXZGCXPLEY-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.28
Rot. Bonds9

About 4-(diethylsulfamoyl)-N-(4-ethoxy-2-nitrophenyl)benzamide

4-(diethylsulfamoyl)-N-(4-ethoxy-2-nitrophenyl)benzamide (PubChem CID 2879851) has the molecular formula C19H23N3O6S and a molecular weight of 421.48 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-(4-ethoxy-2-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-(4-ethoxy-2-nitrophenyl)benzamide
PubChem CID2879851
Molecular FormulaC19H23N3O6S
Molecular Weight421.48 g/mol
Exact Mass421.13
IUPAC Name4-(diethylsulfamoyl)-N-(4-ethoxy-2-nitrophenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H23N3O6S/c1-4-21(5-2)29(26,27)16-10-7-14(8-11-16)19(23)20-17-12-9-15(28-6-3)13-18(17)22(24)25/h7-13H,4-6H2,1-3H3,(H,20,23)
InChIKeyBXJRJXZGCXPLEY-UHFFFAOYSA-N
XLogP3.28
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-(4-ethoxy-2-nitrophenyl)benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-(4-ethoxy-2-nitrophenyl)benzamide (CID 2879851) is 4-(diethylsulfamoyl)-N-(4-ethoxy-2-nitrophenyl)benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-(4-ethoxy-2-nitrophenyl)benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-(4-ethoxy-2-nitrophenyl)benzamide is CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-(4-ethoxy-2-nitrophenyl)benzamide?
The InChIKey is BXJRJXZGCXPLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O6S/c1-4-21(5-2)29(26,27)16-10-7-14(8-11-16)19(23)20-17-12-9-15(28-6-3)13-18(17)22(24)25/h7-13H,4-6H2,1-3H3,(H,20,23).
What are the key properties of 4-(diethylsulfamoyl)-N-(4-ethoxy-2-nitrophenyl)benzamide?
4-(diethylsulfamoyl)-N-(4-ethoxy-2-nitrophenyl)benzamide has a molecular weight of 421.48 g/mol, XLogP of 3.28, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-(4-ethoxy-2-nitrophenyl)benzamide is sourced from PubChem (CID 2879851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).