4-[(4-ethoxyphenyl)sulfonylamino]-N-(3-nitrophenyl)benzamide

C21H19N3O6S — CID 2344490

IUPAC4-[(4-ethoxyphenyl)sulfonylamino]-N-(3-nitrophenyl)benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1
InChIInChI=1S/C21H19N3O6S/c1-2-30-19-10-12-20(13-11-19)31(28,29)23-16-8-6-15(7-9-16)21(25)22-17-4-3-5-18(14-17)24(26)27/h3-14,23H,2H2,1H3,(H,22,25)
InChIKeyYBYYQVJFMUYZKT-UHFFFAOYSA-N
MW441.47 g/mol
LogP4.05
Rot. Bonds8

About 4-[(4-ethoxyphenyl)sulfonylamino]-N-(3-nitrophenyl)benzamide

4-[(4-ethoxyphenyl)sulfonylamino]-N-(3-nitrophenyl)benzamide (PubChem CID 2344490) has the molecular formula C21H19N3O6S and a molecular weight of 441.47 g/mol. Its IUPAC name is 4-[(4-ethoxyphenyl)sulfonylamino]-N-(3-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-[(4-ethoxyphenyl)sulfonylamino]-N-(3-nitrophenyl)benzamide
PubChem CID2344490
Molecular FormulaC21H19N3O6S
Molecular Weight441.47 g/mol
Exact Mass441.10
IUPAC Name4-[(4-ethoxyphenyl)sulfonylamino]-N-(3-nitrophenyl)benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1
InChIInChI=1S/C21H19N3O6S/c1-2-30-19-10-12-20(13-11-19)31(28,29)23-16-8-6-15(7-9-16)21(25)22-17-4-3-5-18(14-17)24(26)27/h3-14,23H,2H2,1H3,(H,22,25)
InChIKeyYBYYQVJFMUYZKT-UHFFFAOYSA-N
XLogP4.05
TPSA127.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.47
LogP ≤ 54.05
H-Bond Donors ≤ 52
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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Related Compounds

N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-nitrobenzamide
CID 3950835
4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26537872
4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methoxyphenyl)benzamide
CID 27167584
4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4948543
N-(3-ethylphenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 46650990
2-chloro-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-5-nitrobenzamide
CID 17147139
4-(methylsulfamoyl)-N-(3-nitrophenyl)benzamide
CID 29200413
4-chloro-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-nitrobenzamide
CID 3381194
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-methoxybenzamide
CID 17146887
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-(2-methylpropoxy)benzamide
CID 4937097
4-(tert-butylsulfamoyl)-N-(3-nitrophenyl)benzamide
CID 34682520
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-nitrobenzamide
CID 1324756

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxyphenyl)sulfonylamino]-N-(3-nitrophenyl)benzamide?
The IUPAC name of 4-[(4-ethoxyphenyl)sulfonylamino]-N-(3-nitrophenyl)benzamide (CID 2344490) is 4-[(4-ethoxyphenyl)sulfonylamino]-N-(3-nitrophenyl)benzamide.
What is the SMILES notation for 4-[(4-ethoxyphenyl)sulfonylamino]-N-(3-nitrophenyl)benzamide?
The canonical SMILES for 4-[(4-ethoxyphenyl)sulfonylamino]-N-(3-nitrophenyl)benzamide is CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1.
What is the InChIKey of 4-[(4-ethoxyphenyl)sulfonylamino]-N-(3-nitrophenyl)benzamide?
The InChIKey is YBYYQVJFMUYZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O6S/c1-2-30-19-10-12-20(13-11-19)31(28,29)23-16-8-6-15(7-9-16)21(25)22-17-4-3-5-18(14-17)24(26)27/h3-14,23H,2H2,1H3,(H,22,25).
What are the key properties of 4-[(4-ethoxyphenyl)sulfonylamino]-N-(3-nitrophenyl)benzamide?
4-[(4-ethoxyphenyl)sulfonylamino]-N-(3-nitrophenyl)benzamide has a molecular weight of 441.47 g/mol, XLogP of 4.05, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxyphenyl)sulfonylamino]-N-(3-nitrophenyl)benzamide is sourced from PubChem (CID 2344490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).