4-iodo-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide

C19H14IN3O2S2 — CID 40998612

IUPAC4-iodo-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(-c2nc3cccnc3s2)cc1NS(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C19H14IN3O2S2/c1-12-4-5-13(18-22-16-3-2-10-21-19(16)26-18)11-17(12)23-27(24,25)15-8-6-14(20)7-9-15/h2-11,23H,1H3
InChIKeyVGHNDTQMNUGPGC-UHFFFAOYSA-N
MW507.38 g/mol
LogP5.07
Rot. Bonds4

About 4-iodo-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide

4-iodo-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide (PubChem CID 40998612) has the molecular formula C19H14IN3O2S2 and a molecular weight of 507.38 g/mol. Its IUPAC name is 4-iodo-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-iodo-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
PubChem CID40998612
Molecular FormulaC19H14IN3O2S2
Molecular Weight507.38 g/mol
Exact Mass506.96
IUPAC Name4-iodo-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(-c2nc3cccnc3s2)cc1NS(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C19H14IN3O2S2/c1-12-4-5-13(18-22-16-3-2-10-21-19(16)26-18)11-17(12)23-27(24,25)15-8-6-14(20)7-9-15/h2-11,23H,1H3
InChIKeyVGHNDTQMNUGPGC-UHFFFAOYSA-N
XLogP5.07
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.38
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4-iodo-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-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

4-methyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
CID 16806807
N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 40998603
4-acetyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
CID 16800845
N-[4-methyl-5-[[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide
CID 30285526
4-methyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-3,5-dinitrobenzenesulfonamide
CID 40998580
3-methoxy-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
CID 121025164
2,4-dimethyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
CID 16806793
5-bromo-2-methoxy-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
CID 121025140
2-methyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]quinoline-8-sulfonamide
CID 121025177
4-fluoro-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
CID 16825197
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-4-iodobenzenesulfonamide
CID 121055508
3,5-dichloro-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 121024743

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-iodo-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide (CID 40998612) is 4-iodo-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-iodo-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-iodo-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide is Cc1ccc(-c2nc3cccnc3s2)cc1NS(=O)(=O)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide?
The InChIKey is VGHNDTQMNUGPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14IN3O2S2/c1-12-4-5-13(18-22-16-3-2-10-21-19(16)26-18)11-17(12)23-27(24,25)15-8-6-14(20)7-9-15/h2-11,23H,1H3.
What are the key properties of 4-iodo-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide?
4-iodo-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide has a molecular weight of 507.38 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 40998612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).