N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(3-nitrophenoxy)acetamide

C22H20ClN3O6S — CID 55327646

IUPACN-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(3-nitrophenoxy)acetamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)COc2cccc([N+](=O)[O-])c2)ccc1Cl
InChIInChI=1S/C22H20ClN3O6S/c1-2-25(17-7-4-3-5-8-17)33(30,31)21-13-16(11-12-20(21)23)24-22(27)15-32-19-10-6-9-18(14-19)26(28)29/h3-14H,2,15H2,1H3,(H,24,27)
InChIKeyVPLVBDJVRYYLJD-UHFFFAOYSA-N
MW489.94 g/mol
LogP4.48
Rot. Bonds9

About N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(3-nitrophenoxy)acetamide

N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(3-nitrophenoxy)acetamide (PubChem CID 55327646) has the molecular formula C22H20ClN3O6S and a molecular weight of 489.94 g/mol. Its IUPAC name is N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(3-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(3-nitrophenoxy)acetamide
PubChem CID55327646
Molecular FormulaC22H20ClN3O6S
Molecular Weight489.94 g/mol
Exact Mass489.08
IUPAC NameN-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(3-nitrophenoxy)acetamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)COc2cccc([N+](=O)[O-])c2)ccc1Cl
InChIInChI=1S/C22H20ClN3O6S/c1-2-25(17-7-4-3-5-8-17)33(30,31)21-13-16(11-12-20(21)23)24-22(27)15-32-19-10-6-9-18(14-19)26(28)29/h3-14H,2,15H2,1H3,(H,24,27)
InChIKeyVPLVBDJVRYYLJD-UHFFFAOYSA-N
XLogP4.48
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.94
LogP ≤ 54.48
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'}

Analyze N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(3-nitrophenoxy)acetamide 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

N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)acetamide
CID 36589093
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-nitrophenyl)acetamide
CID 35729144
[2-[4-chloro-3-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]-dimethylazanium
CID 7870484
N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(3-methylphenoxy)acetamide
CID 3983951
2-(3-nitrophenoxy)-N-(3-phenoxyphenyl)acetamide
CID 51480450
2,5-dichloro-N-ethyl-N-(3-nitrophenyl)benzenesulfonamide
CID 100508533
N-(3,4-dichlorophenyl)-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide
CID 39093599
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(3-nitrophenyl)acetamide
CID 30129033
3-acetamido-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]benzamide
CID 42992579
2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(3-chlorophenyl)acetamide
CID 17247126
N-(4-methylsulfanylphenyl)-2-(3-nitrophenoxy)acetamide
CID 51287734
N-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)acetamide
CID 7865410

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(3-nitrophenoxy)acetamide?
The IUPAC name of N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(3-nitrophenoxy)acetamide (CID 55327646) is N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(3-nitrophenoxy)acetamide.
What is the SMILES notation for N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(3-nitrophenoxy)acetamide?
The canonical SMILES for N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(3-nitrophenoxy)acetamide is CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)COc2cccc([N+](=O)[O-])c2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(3-nitrophenoxy)acetamide?
The InChIKey is VPLVBDJVRYYLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O6S/c1-2-25(17-7-4-3-5-8-17)33(30,31)21-13-16(11-12-20(21)23)24-22(27)15-32-19-10-6-9-18(14-19)26(28)29/h3-14H,2,15H2,1H3,(H,24,27).
What are the key properties of N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(3-nitrophenoxy)acetamide?
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(3-nitrophenoxy)acetamide has a molecular weight of 489.94 g/mol, XLogP of 4.48, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(3-nitrophenoxy)acetamide is sourced from PubChem (CID 55327646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).