N-[3-(4-chlorophenoxy)-5-nitrophenyl]-4-ethoxybenzenesulfonamide

C20H17ClN2O6S — CID 22205482

IUPACN-[3-(4-chlorophenoxy)-5-nitrophenyl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cc(Oc3ccc(Cl)cc3)cc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C20H17ClN2O6S/c1-2-28-17-7-9-20(10-8-17)30(26,27)22-15-11-16(23(24)25)13-19(12-15)29-18-5-3-14(21)4-6-18/h3-13,22H,2H2,1H3
InChIKeyRHJXRQFSNXABGQ-UHFFFAOYSA-N
MW448.88 g/mol
LogP5.24
Rot. Bonds8

About N-[3-(4-chlorophenoxy)-5-nitrophenyl]-4-ethoxybenzenesulfonamide

N-[3-(4-chlorophenoxy)-5-nitrophenyl]-4-ethoxybenzenesulfonamide (PubChem CID 22205482) has the molecular formula C20H17ClN2O6S and a molecular weight of 448.88 g/mol. Its IUPAC name is N-[3-(4-chlorophenoxy)-5-nitrophenyl]-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenoxy)-5-nitrophenyl]-4-ethoxybenzenesulfonamide
PubChem CID22205482
Molecular FormulaC20H17ClN2O6S
Molecular Weight448.88 g/mol
Exact Mass448.05
IUPAC NameN-[3-(4-chlorophenoxy)-5-nitrophenyl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cc(Oc3ccc(Cl)cc3)cc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C20H17ClN2O6S/c1-2-28-17-7-9-20(10-8-17)30(26,27)22-15-11-16(23(24)25)13-19(12-15)29-18-5-3-14(21)4-6-18/h3-13,22H,2H2,1H3
InChIKeyRHJXRQFSNXABGQ-UHFFFAOYSA-N
XLogP5.24
TPSA107.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.88
LogP ≤ 55.24
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-[3-(4-chlorophenoxy)-5-nitrophenyl]-4-ethoxybenzenesulfonamide 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-[3-(4-chlorophenoxy)-5-nitrophenyl]-4-(2-methylpropyl)benzenesulfonamide
CID 22205488
4-methyl-N-[3-(4-methylphenoxy)-5-nitrophenyl]benzenesulfonamide
CID 169371299
N-[3-(4-chlorophenoxy)-5-nitrophenyl]-2,4-difluorobenzenesulfonamide
CID 22205497
N-[3-(4-chlorophenoxy)-5-nitrophenyl]thiophene-2-sulfonamide
CID 22205504
N-[3-(2,4-dichlorophenoxy)-5-nitrophenyl]-4-methylbenzenesulfonamide
CID 169371120
4-methoxy-N-(3-methoxy-5-nitrophenyl)benzenesulfonamide
CID 841402
4-chloro-N-[4-(4-chlorophenoxy)phenyl]benzenesulfonamide
CID 5010043
2-chloro-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-5-nitrobenzamide
CID 17147139
3-chloro-N-(4-ethoxyphenyl)-4-fluorobenzenesulfonamide
CID 889995
N-(3-ethoxy-5-nitrophenyl)hydroxylamine
CID 130500571
4-[(4-ethoxyphenyl)sulfonylamino]-N-(3-nitrophenyl)benzamide
CID 2344490
2-[3-(4-chlorophenoxy)-5-nitroanilino]ethene-1,1,2-tricarbonitrile
CID 168608688

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenoxy)-5-nitrophenyl]-4-ethoxybenzenesulfonamide?
The IUPAC name of N-[3-(4-chlorophenoxy)-5-nitrophenyl]-4-ethoxybenzenesulfonamide (CID 22205482) is N-[3-(4-chlorophenoxy)-5-nitrophenyl]-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-[3-(4-chlorophenoxy)-5-nitrophenyl]-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-[3-(4-chlorophenoxy)-5-nitrophenyl]-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2cc(Oc3ccc(Cl)cc3)cc([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-[3-(4-chlorophenoxy)-5-nitrophenyl]-4-ethoxybenzenesulfonamide?
The InChIKey is RHJXRQFSNXABGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O6S/c1-2-28-17-7-9-20(10-8-17)30(26,27)22-15-11-16(23(24)25)13-19(12-15)29-18-5-3-14(21)4-6-18/h3-13,22H,2H2,1H3.
What are the key properties of N-[3-(4-chlorophenoxy)-5-nitrophenyl]-4-ethoxybenzenesulfonamide?
N-[3-(4-chlorophenoxy)-5-nitrophenyl]-4-ethoxybenzenesulfonamide has a molecular weight of 448.88 g/mol, XLogP of 5.24, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenoxy)-5-nitrophenyl]-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 22205482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).