5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-1,3-thiazole

C17H11Cl2N3O2S2 — CID 141210650

IUPAC5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-1,3-thiazole
SMILESO=S(=O)(c1ccccc1)n1cc(Cc2scnc2Cl)c2cc(Cl)cnc21
InChIInChI=1S/C17H11Cl2N3O2S2/c18-12-7-14-11(6-15-16(19)21-10-25-15)9-22(17(14)20-8-12)26(23,24)13-4-2-1-3-5-13/h1-5,7-10H,6H2
InChIKeyINAMMRRCCLJZJF-UHFFFAOYSA-N
MW424.33 g/mol
LogP4.63
Rot. Bonds4

About 5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-1,3-thiazole

5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-1,3-thiazole (PubChem CID 141210650) has the molecular formula C17H11Cl2N3O2S2 and a molecular weight of 424.33 g/mol. Its IUPAC name is 5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-1,3-thiazole.

Molecular Properties

Compound Name5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-1,3-thiazole
PubChem CID141210650
Molecular FormulaC17H11Cl2N3O2S2
Molecular Weight424.33 g/mol
Exact Mass422.97
IUPAC Name5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-1,3-thiazole
SMILESO=S(=O)(c1ccccc1)n1cc(Cc2scnc2Cl)c2cc(Cl)cnc21
InChIInChI=1S/C17H11Cl2N3O2S2/c18-12-7-14-11(6-15-16(19)21-10-25-15)9-22(17(14)20-8-12)26(23,24)13-4-2-1-3-5-13/h1-5,7-10H,6H2
InChIKeyINAMMRRCCLJZJF-UHFFFAOYSA-N
XLogP4.63
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.33
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-1,3-thiazole 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-[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]-5-fluoropyrimidin-4-amine
CID 141445922
5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-3-thiol
CID 146509609
1-(benzenesulfonyl)-5-methyl-3-[[2-[(4-methylsulfonylphenyl)methyl]pyrimidin-5-yl]methyl]pyrrolo[2,3-b]pyridine
CID 58485846
2-[5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-fluoro-N-methylpyrimidin-4-amine
CID 138646621
1-(benzenesulfonyl)-4-chloro-5-phenylpyrrolo[2,3-b]pyridine
CID 68762479
(6-amino-3-pyridinyl)-[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methanol;1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridine-3-carbaldehyde;5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;5-bromopyridin-2-amine;5-chloro-1H-pyrrolo[2,3-b]pyridine;5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 157284201
4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]morpholine
CID 67051512
3-[1-(benzenesulfonyl)-5-chloroindol-3-yl]propanoic acid
CID 18449976
1-(benzenesulfonyl)-3-benzylindole
CID 86142945
7-(benzenesulfonyl)-5-bromo-4-chloro-2-methylpyrrolo[2,3-d]pyrimidine
CID 135283806
9-(benzenesulfonyl)-3-chloro-6-(1-phenylethenyl)pyrido[2,3-b]indole
CID 66766097
4-[9-(benzenesulfonyl)-3-chloropyrido[2,3-b]indol-6-yl]phenol;ethane
CID 143951072

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-1,3-thiazole?
The IUPAC name of 5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-1,3-thiazole (CID 141210650) is 5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-1,3-thiazole.
What is the SMILES notation for 5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-1,3-thiazole?
The canonical SMILES for 5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-1,3-thiazole is O=S(=O)(c1ccccc1)n1cc(Cc2scnc2Cl)c2cc(Cl)cnc21.
What is the InChIKey of 5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-1,3-thiazole?
The InChIKey is INAMMRRCCLJZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N3O2S2/c18-12-7-14-11(6-15-16(19)21-10-25-15)9-22(17(14)20-8-12)26(23,24)13-4-2-1-3-5-13/h1-5,7-10H,6H2.
What are the key properties of 5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-1,3-thiazole?
5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-1,3-thiazole has a molecular weight of 424.33 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-1,3-thiazole is sourced from PubChem (CID 141210650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).