3,5-dichloro-4-(2-chloro-4-nitrophenoxy)-N-pyridin-3-ylbenzenesulfonamide

C17H10Cl3N3O5S — CID 59982411

IUPAC3,5-dichloro-4-(2-chloro-4-nitrophenoxy)-N-pyridin-3-ylbenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(Oc2c(Cl)cc(S(=O)(=O)Nc3cccnc3)cc2Cl)c(Cl)c1
InChIInChI=1S/C17H10Cl3N3O5S/c18-13-6-11(23(24)25)3-4-16(13)28-17-14(19)7-12(8-15(17)20)29(26,27)22-10-2-1-5-21-9-10/h1-9,22H
InChIKeyVQDULBDEMGFJOF-UHFFFAOYSA-N
MW474.71 g/mol
LogP5.54
Rot. Bonds6

About 3,5-dichloro-4-(2-chloro-4-nitrophenoxy)-N-pyridin-3-ylbenzenesulfonamide

3,5-dichloro-4-(2-chloro-4-nitrophenoxy)-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 59982411) has the molecular formula C17H10Cl3N3O5S and a molecular weight of 474.71 g/mol. Its IUPAC name is 3,5-dichloro-4-(2-chloro-4-nitrophenoxy)-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-4-(2-chloro-4-nitrophenoxy)-N-pyridin-3-ylbenzenesulfonamide
PubChem CID59982411
Molecular FormulaC17H10Cl3N3O5S
Molecular Weight474.71 g/mol
Exact Mass472.94
IUPAC Name3,5-dichloro-4-(2-chloro-4-nitrophenoxy)-N-pyridin-3-ylbenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(Oc2c(Cl)cc(S(=O)(=O)Nc3cccnc3)cc2Cl)c(Cl)c1
InChIInChI=1S/C17H10Cl3N3O5S/c18-13-6-11(23(24)25)3-4-16(13)28-17-14(19)7-12(8-15(17)20)29(26,27)22-10-2-1-5-21-9-10/h1-9,22H
InChIKeyVQDULBDEMGFJOF-UHFFFAOYSA-N
XLogP5.54
TPSA111.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.71
LogP ≤ 55.54
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 3,5-dichloro-4-(2-chloro-4-nitrophenoxy)-N-pyridin-3-ylbenzenesulfonamide 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

3,5-dichloro-4-(2-chloro-4-nitrophenoxy)-N-(3-methylsulfonylphenyl)benzenesulfonamide
CID 59982386
4-(4-nitrophenoxy)-N-pyridin-3-ylbenzenesulfonamide
CID 1355803
1,3-dichloro-2-(2-chloro-4-nitrophenoxy)-5-methylsulfonylbenzene
CID 59982347
3,5-dichloro-4-(2-chloro-4-nitrophenoxy)-N-(2-methyl-1H-indol-5-yl)benzenesulfonamide
CID 59982329
N-[3-bromo-4-(4-iodophenoxy)phenyl]-3,5-dichloro-4-(2-chloro-4-nitrophenoxy)benzenesulfonamide
CID 59982364
1-[3,5-dichloro-4-(2-chloro-4-nitrophenoxy)phenyl]sulfonylpyrrolidine
CID 2798215
N-[5-[[3,5-dichloro-4-(2-chloro-4-nitrophenoxy)phenyl]sulfonylamino]-2-(fluoromethoxy)phenyl]-2-fluoroacetamide
CID 142989219
1,3-dichloro-2-(2-chloro-4-nitrophenoxy)benzene
CID 2794565
3,5-dichloro-N-pyridin-3-ylbenzenesulfonamide
CID 3269893
2-(4-nitrophenoxy)-N-pyridin-3-ylbenzenesulfonamide
CID 70868021
4-hydroxy-3-nitro-N-pyridin-3-ylbenzenesulfonamide
CID 43217817
2-(methylamino)-5-nitro-N-pyridin-3-ylbenzenesulfonamide
CID 62150398

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-(2-chloro-4-nitrophenoxy)-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 3,5-dichloro-4-(2-chloro-4-nitrophenoxy)-N-pyridin-3-ylbenzenesulfonamide (CID 59982411) is 3,5-dichloro-4-(2-chloro-4-nitrophenoxy)-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-4-(2-chloro-4-nitrophenoxy)-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 3,5-dichloro-4-(2-chloro-4-nitrophenoxy)-N-pyridin-3-ylbenzenesulfonamide is O=[N+]([O-])c1ccc(Oc2c(Cl)cc(S(=O)(=O)Nc3cccnc3)cc2Cl)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-4-(2-chloro-4-nitrophenoxy)-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is VQDULBDEMGFJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl3N3O5S/c18-13-6-11(23(24)25)3-4-16(13)28-17-14(19)7-12(8-15(17)20)29(26,27)22-10-2-1-5-21-9-10/h1-9,22H.
What are the key properties of 3,5-dichloro-4-(2-chloro-4-nitrophenoxy)-N-pyridin-3-ylbenzenesulfonamide?
3,5-dichloro-4-(2-chloro-4-nitrophenoxy)-N-pyridin-3-ylbenzenesulfonamide has a molecular weight of 474.71 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-(2-chloro-4-nitrophenoxy)-N-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 59982411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).