2-[(4-chlorophenyl)sulfonyl-[2-(2-hydroxy-5-nitrophenyl)ethyl]amino]-2-phenylacetamide

C22H20ClN3O6S — CID 174508547

IUPAC2-[(4-chlorophenyl)sulfonyl-[2-(2-hydroxy-5-nitrophenyl)ethyl]amino]-2-phenylacetamide
SMILESNC(=O)C(c1ccccc1)N(CCc1cc([N+](=O)[O-])ccc1O)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H20ClN3O6S/c23-17-6-9-19(10-7-17)33(31,32)25(21(22(24)28)15-4-2-1-3-5-15)13-12-16-14-18(26(29)30)8-11-20(16)27/h1-11,14,21,27H,12-13H2,(H2,24,28)
InChIKeyKLEMHIOLWBSUKG-UHFFFAOYSA-N
MW489.94 g/mol
LogP3.41
Rot. Bonds9

About 2-[(4-chlorophenyl)sulfonyl-[2-(2-hydroxy-5-nitrophenyl)ethyl]amino]-2-phenylacetamide

2-[(4-chlorophenyl)sulfonyl-[2-(2-hydroxy-5-nitrophenyl)ethyl]amino]-2-phenylacetamide (PubChem CID 174508547) has the molecular formula C22H20ClN3O6S and a molecular weight of 489.94 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-[2-(2-hydroxy-5-nitrophenyl)ethyl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-[2-(2-hydroxy-5-nitrophenyl)ethyl]amino]-2-phenylacetamide
PubChem CID174508547
Molecular FormulaC22H20ClN3O6S
Molecular Weight489.94 g/mol
Exact Mass489.08
IUPAC Name2-[(4-chlorophenyl)sulfonyl-[2-(2-hydroxy-5-nitrophenyl)ethyl]amino]-2-phenylacetamide
SMILESNC(=O)C(c1ccccc1)N(CCc1cc([N+](=O)[O-])ccc1O)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H20ClN3O6S/c23-17-6-9-19(10-7-17)33(31,32)25(21(22(24)28)15-4-2-1-3-5-15)13-12-16-14-18(26(29)30)8-11-20(16)27/h1-11,14,21,27H,12-13H2,(H2,24,28)
InChIKeyKLEMHIOLWBSUKG-UHFFFAOYSA-N
XLogP3.41
TPSA143.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.94
LogP ≤ 53.41
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 2-[(4-chlorophenyl)sulfonyl-[2-(2-hydroxy-5-nitrophenyl)ethyl]amino]-2-phenylacetamide 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

2-[(4-chlorophenyl)sulfonyl-[(3-nitrophenyl)methyl]amino]-2-phenylacetamide
CID 21075502
(2R)-2-[(4-chlorophenyl)sulfonyl-[2-[2-(trifluoromethyl)phenyl]ethyl]amino]-2-phenylacetamide
CID 174508527
(2R)-2-[(4-chlorophenyl)sulfonyl-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]amino]-2-phenylacetamide
CID 174522740
2-[(4-chlorophenyl)sulfonyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]-2-phenylacetamide
CID 174508550
2-[(4-chlorophenyl)sulfonyl-[(3,5-dimethylphenyl)methyl]amino]-2-phenylacetamide
CID 21075494
2-[(4-chlorophenyl)sulfonyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-2-phenylacetamide
CID 21075487
3-[[(2-amino-2-oxo-1-phenylethyl)-(4-chlorophenyl)sulfonylamino]methyl]benzoic acid
CID 21075529
2-[(4-chlorophenyl)sulfonyl-[[3-(difluoromethoxy)phenyl]methyl]amino]-2-phenylacetamide
CID 21075497
2-[(4-chlorophenyl)sulfonyl-[[4-(thiadiazol-4-yl)phenyl]methyl]amino]-2-phenylacetamide
CID 21075505
2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]amino]-2-phenylacetamide
CID 21075524
methyl 4-[[(2-amino-2-oxo-1-phenylethyl)-(4-chloro-3-nitrophenyl)sulfonylamino]methyl]benzoate
CID 69318790
2-[(4-chlorophenyl)sulfonyl-[[3-(2-fluorophenoxy)phenyl]methyl]amino]-2-phenylacetamide
CID 21075488

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[2-(2-hydroxy-5-nitrophenyl)ethyl]amino]-2-phenylacetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[2-(2-hydroxy-5-nitrophenyl)ethyl]amino]-2-phenylacetamide (CID 174508547) is 2-[(4-chlorophenyl)sulfonyl-[2-(2-hydroxy-5-nitrophenyl)ethyl]amino]-2-phenylacetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-[2-(2-hydroxy-5-nitrophenyl)ethyl]amino]-2-phenylacetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-[2-(2-hydroxy-5-nitrophenyl)ethyl]amino]-2-phenylacetamide is NC(=O)C(c1ccccc1)N(CCc1cc([N+](=O)[O-])ccc1O)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-[2-(2-hydroxy-5-nitrophenyl)ethyl]amino]-2-phenylacetamide?
The InChIKey is KLEMHIOLWBSUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O6S/c23-17-6-9-19(10-7-17)33(31,32)25(21(22(24)28)15-4-2-1-3-5-15)13-12-16-14-18(26(29)30)8-11-20(16)27/h1-11,14,21,27H,12-13H2,(H2,24,28).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-[2-(2-hydroxy-5-nitrophenyl)ethyl]amino]-2-phenylacetamide?
2-[(4-chlorophenyl)sulfonyl-[2-(2-hydroxy-5-nitrophenyl)ethyl]amino]-2-phenylacetamide has a molecular weight of 489.94 g/mol, XLogP of 3.41, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-[2-(2-hydroxy-5-nitrophenyl)ethyl]amino]-2-phenylacetamide is sourced from PubChem (CID 174508547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).