4-chloro-3-iodo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine

C15H12ClIN2O2S — CID 118190050

IUPAC4-chloro-3-iodo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
SMILESCc1ccc(S(=O)(=O)n2cc(I)c3c(Cl)cc(C)nc32)cc1
InChIInChI=1S/C15H12ClIN2O2S/c1-9-3-5-11(6-4-9)22(20,21)19-8-13(17)14-12(16)7-10(2)18-15(14)19/h3-8H,1-2H3
InChIKeySSHIDANLOKKJOC-UHFFFAOYSA-N
MW446.70 g/mol
LogP4.15
Rot. Bonds2

About 4-chloro-3-iodo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine

4-chloro-3-iodo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine (PubChem CID 118190050) has the molecular formula C15H12ClIN2O2S and a molecular weight of 446.70 g/mol. Its IUPAC name is 4-chloro-3-iodo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-chloro-3-iodo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
PubChem CID118190050
Molecular FormulaC15H12ClIN2O2S
Molecular Weight446.70 g/mol
Exact Mass445.94
IUPAC Name4-chloro-3-iodo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
SMILESCc1ccc(S(=O)(=O)n2cc(I)c3c(Cl)cc(C)nc32)cc1
InChIInChI=1S/C15H12ClIN2O2S/c1-9-3-5-11(6-4-9)22(20,21)19-8-13(17)14-12(16)7-10(2)18-15(14)19/h3-8H,1-2H3
InChIKeySSHIDANLOKKJOC-UHFFFAOYSA-N
XLogP4.15
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.70
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-(benzenesulfonyl)-5-iodo-2,4-dimethylpyrrolo[2,3-d]pyrimidine
CID 10597822
4-chloro-3-iodo-1,6-dimethylpyrrolo[2,3-b]pyridine
CID 71090276
2-chloro-5-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine
CID 133060220
4-chloro-3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 11638352
5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-3-thiol
CID 146509609
3-iodo-7-methyl-1-(4-methylphenyl)sulfonylindole
CID 118449865
tert-butyl N-[1-[2-chloro-5-iodo-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]-N-methylcarbamate
CID 90786565
[4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]methanol
CID 162469871
4-chloro-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 90226236
5-[3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 135332485
5-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 151827977
7-(benzenesulfonyl)-5-bromo-4-chloro-2-methylpyrrolo[2,3-d]pyrimidine
CID 135283806

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-iodo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The IUPAC name of 4-chloro-3-iodo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine (CID 118190050) is 4-chloro-3-iodo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-chloro-3-iodo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-chloro-3-iodo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine is Cc1ccc(S(=O)(=O)n2cc(I)c3c(Cl)cc(C)nc32)cc1.
What is the InChIKey of 4-chloro-3-iodo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The InChIKey is SSHIDANLOKKJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClIN2O2S/c1-9-3-5-11(6-4-9)22(20,21)19-8-13(17)14-12(16)7-10(2)18-15(14)19/h3-8H,1-2H3.
What are the key properties of 4-chloro-3-iodo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine?
4-chloro-3-iodo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine has a molecular weight of 446.70 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-iodo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 118190050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).