N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-nitrobenzamide

C21H19N3O6S — CID 3950835

IUPACN-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-nitrobenzamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1
InChIInChI=1S/C21H19N3O6S/c1-2-30-19-11-5-17(6-12-19)23-31(28,29)20-13-7-16(8-14-20)22-21(25)15-3-9-18(10-4-15)24(26)27/h3-14,23H,2H2,1H3,(H,22,25)
InChIKeyADOPPQRTFKMNEE-UHFFFAOYSA-N
MW441.47 g/mol
LogP4.05
Rot. Bonds8

About N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-nitrobenzamide

N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-nitrobenzamide (PubChem CID 3950835) has the molecular formula C21H19N3O6S and a molecular weight of 441.47 g/mol. Its IUPAC name is N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-nitrobenzamide
PubChem CID3950835
Molecular FormulaC21H19N3O6S
Molecular Weight441.47 g/mol
Exact Mass441.10
IUPAC NameN-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-nitrobenzamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1
InChIInChI=1S/C21H19N3O6S/c1-2-30-19-11-5-17(6-12-19)23-31(28,29)20-13-7-16(8-14-20)22-21(25)15-3-9-18(10-4-15)24(26)27/h3-14,23H,2H2,1H3,(H,22,25)
InChIKeyADOPPQRTFKMNEE-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'}

Analyze N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-ethoxyphenyl)sulfonylamino]-N-(3-nitrophenyl)benzamide
CID 2344490
4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4948543
2-chloro-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-5-nitrobenzamide
CID 17147139
4-chloro-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-nitrobenzamide
CID 3381194
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-(2-methylpropoxy)benzamide
CID 4937097
N-[4-(benzenesulfonamido)phenyl]-4-nitrobenzamide
CID 4230434
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-nitrobenzamide
CID 1324756
4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26537872
4-ethoxy-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]benzamide
CID 108572022
4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methoxyphenyl)benzamide
CID 27167584
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 19062515
4-[(4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 9419122

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-nitrobenzamide?
The IUPAC name of N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-nitrobenzamide (CID 3950835) is N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-nitrobenzamide.
What is the SMILES notation for N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-nitrobenzamide?
The canonical SMILES for N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-nitrobenzamide is CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1.
What is the InChIKey of N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-nitrobenzamide?
The InChIKey is ADOPPQRTFKMNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O6S/c1-2-30-19-11-5-17(6-12-19)23-31(28,29)20-13-7-16(8-14-20)22-21(25)15-3-9-18(10-4-15)24(26)27/h3-14,23H,2H2,1H3,(H,22,25).
What are the key properties of N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-nitrobenzamide?
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-nitrobenzamide 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 N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-nitrobenzamide is sourced from PubChem (CID 3950835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).