4-(4-nitrophenoxy)-N-pyridin-3-ylbenzenesulfonamide

C17H13N3O5S — CID 1355803

IUPAC4-(4-nitrophenoxy)-N-pyridin-3-ylbenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1
InChIInChI=1S/C17H13N3O5S/c21-20(22)14-3-5-15(6-4-14)25-16-7-9-17(10-8-16)26(23,24)19-13-2-1-11-18-12-13/h1-12,19H
InChIKeyPHBXOXXAFHIMID-UHFFFAOYSA-N
MW371.37 g/mol
LogP3.58
Rot. Bonds6

About 4-(4-nitrophenoxy)-N-pyridin-3-ylbenzenesulfonamide

4-(4-nitrophenoxy)-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 1355803) has the molecular formula C17H13N3O5S and a molecular weight of 371.37 g/mol. Its IUPAC name is 4-(4-nitrophenoxy)-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(4-nitrophenoxy)-N-pyridin-3-ylbenzenesulfonamide
PubChem CID1355803
Molecular FormulaC17H13N3O5S
Molecular Weight371.37 g/mol
Exact Mass371.06
IUPAC Name4-(4-nitrophenoxy)-N-pyridin-3-ylbenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1
InChIInChI=1S/C17H13N3O5S/c21-20(22)14-3-5-15(6-4-14)25-16-7-9-17(10-8-16)26(23,24)19-13-2-1-11-18-12-13/h1-12,19H
InChIKeyPHBXOXXAFHIMID-UHFFFAOYSA-N
XLogP3.58
TPSA111.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 53.58
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 4-(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

2-(4-nitrophenoxy)-N-pyridin-3-ylbenzenesulfonamide
CID 70868021
4-nitro-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
CID 122302577
3,5-dichloro-4-(2-chloro-4-nitrophenoxy)-N-pyridin-3-ylbenzenesulfonamide
CID 59982411
4-(4-nitrophenoxy)-N-pyridin-2-ylbenzenesulfonamide
CID 1378990
3-[[4-(4-nitrophenoxy)phenyl]sulfonylamino]benzoic acid
CID 1116085
4-hydroxy-3-nitro-N-pyridin-3-ylbenzenesulfonamide
CID 43217817
2-(methylamino)-5-nitro-N-pyridin-3-ylbenzenesulfonamide
CID 62150398
N-[4-[(4-pyridin-3-yloxyphenyl)sulfamoyl]phenyl]acetamide
CID 1332367
3-fluoro-N-[4-(4-nitrophenoxy)phenyl]benzenesulfonamide
CID 3865441
4-(2-chlorophenoxy)-N-(4-nitrophenyl)benzenesulfonamide
CID 3535744
N-pyridin-3-ylnaphthalene-2-sulfonamide
CID 849014
N-(5-methyl-1,2-oxazol-3-yl)-4-(4-nitrophenoxy)benzenesulfonamide
CID 2907889

Frequently Asked Questions

What is the IUPAC name of 4-(4-nitrophenoxy)-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 4-(4-nitrophenoxy)-N-pyridin-3-ylbenzenesulfonamide (CID 1355803) is 4-(4-nitrophenoxy)-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-(4-nitrophenoxy)-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-(4-nitrophenoxy)-N-pyridin-3-ylbenzenesulfonamide is O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1.
What is the InChIKey of 4-(4-nitrophenoxy)-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is PHBXOXXAFHIMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O5S/c21-20(22)14-3-5-15(6-4-14)25-16-7-9-17(10-8-16)26(23,24)19-13-2-1-11-18-12-13/h1-12,19H.
What are the key properties of 4-(4-nitrophenoxy)-N-pyridin-3-ylbenzenesulfonamide?
4-(4-nitrophenoxy)-N-pyridin-3-ylbenzenesulfonamide has a molecular weight of 371.37 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-nitrophenoxy)-N-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 1355803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).