2-nitro-N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide

C20H14N4O4S2 — CID 100596772

IUPAC2-nitro-N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(-c2csc(-c3ccncc3)n2)cc1
InChIInChI=1S/C20H14N4O4S2/c25-24(26)18-3-1-2-4-19(18)30(27,28)23-16-7-5-14(6-8-16)17-13-29-20(22-17)15-9-11-21-12-10-15/h1-13,23H
InChIKeyGWLZWKPQKOMFGB-UHFFFAOYSA-N
MW438.49 g/mol
LogP4.58
Rot. Bonds6

About 2-nitro-N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide

2-nitro-N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide (PubChem CID 100596772) has the molecular formula C20H14N4O4S2 and a molecular weight of 438.49 g/mol. Its IUPAC name is 2-nitro-N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-nitro-N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
PubChem CID100596772
Molecular FormulaC20H14N4O4S2
Molecular Weight438.49 g/mol
Exact Mass438.05
IUPAC Name2-nitro-N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(-c2csc(-c3ccncc3)n2)cc1
InChIInChI=1S/C20H14N4O4S2/c25-24(26)18-3-1-2-4-19(18)30(27,28)23-16-7-5-14(6-8-16)17-13-29-20(22-17)15-9-11-21-12-10-15/h1-13,23H
InChIKeyGWLZWKPQKOMFGB-UHFFFAOYSA-N
XLogP4.58
TPSA115.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-nitro-N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide 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-fluoro-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286327
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzenesulfonamide
CID 19203678
N-(4-iodophenyl)-2-nitrobenzenesulfonamide
CID 1380183
3-nitro-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 58874615
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-nitrobenzenesulfonamide
CID 19203685
4-methoxy-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 1203751
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-fluorobenzenesulfonamide
CID 108784162
N-[4-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 60528746
N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-nitrobenzenesulfonamide
CID 19203710
4-methyl-3,5-dinitro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 46497692
5-hydrazinyl-2-nitro-N-pyridin-4-ylbenzenesulfonamide
CID 60989473
2-nitro-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16873650

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2-nitro-N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide (CID 100596772) is 2-nitro-N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-nitro-N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-nitro-N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide is O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(-c2csc(-c3ccncc3)n2)cc1.
What is the InChIKey of 2-nitro-N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
The InChIKey is GWLZWKPQKOMFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O4S2/c25-24(26)18-3-1-2-4-19(18)30(27,28)23-16-7-5-14(6-8-16)17-13-29-20(22-17)15-9-11-21-12-10-15/h1-13,23H.
What are the key properties of 2-nitro-N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
2-nitro-N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide has a molecular weight of 438.49 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 100596772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).