4-chloro-3-(2,6-dimethoxy-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;ethane

C23H24ClN3O4S — CID 144646907

IUPAC4-chloro-3-(2,6-dimethoxy-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;ethane
SMILESCC.COc1ccc(-c2cn(S(=O)(=O)c3ccc(C)cc3)c3nccc(Cl)c23)c(OC)n1
InChIInChI=1S/C21H18ClN3O4S.C2H6/c1-13-4-6-14(7-5-13)30(26,27)25-12-16(19-17(22)10-11-23-20(19)25)15-8-9-18(28-2)24-21(15)29-3;1-2/h4-12H,1-3H3;1-2H3
InChIKeyRGQRLHFMZODCEU-UHFFFAOYSA-N
MW473.98 g/mol
LogP5.34
Rot. Bonds5

About 4-chloro-3-(2,6-dimethoxy-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;ethane

4-chloro-3-(2,6-dimethoxy-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;ethane (PubChem CID 144646907) has the molecular formula C23H24ClN3O4S and a molecular weight of 473.98 g/mol. Its IUPAC name is 4-chloro-3-(2,6-dimethoxy-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;ethane.

Molecular Properties

Compound Name4-chloro-3-(2,6-dimethoxy-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;ethane
PubChem CID144646907
Molecular FormulaC23H24ClN3O4S
Molecular Weight473.98 g/mol
Exact Mass473.12
IUPAC Name4-chloro-3-(2,6-dimethoxy-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;ethane
SMILESCC.COc1ccc(-c2cn(S(=O)(=O)c3ccc(C)cc3)c3nccc(Cl)c23)c(OC)n1
InChIInChI=1S/C21H18ClN3O4S.C2H6/c1-13-4-6-14(7-5-13)30(26,27)25-12-16(19-17(22)10-11-23-20(19)25)15-8-9-18(28-2)24-21(15)29-3;1-2/h4-12H,1-3H3;1-2H3
InChIKeyRGQRLHFMZODCEU-UHFFFAOYSA-N
XLogP5.34
TPSA83.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.98
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-N-[1-[6-(2-methoxy-4-pyridyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-4-piperidyl]benzenesulfonamide
CID 90002492
1-(4-Methoxybenzenesulfonyl)-4-{1-methyl-1H-pyrrolo[2,3-B]pyridin-3-YL}-1,2,3,6-tetrahydropyridine
CID 53161176
1-(3-Chloro-4-methoxybenzenesulfonyl)-4-{1-methyl-1H-pyrrolo[2,3-B]pyridin-3-YL}-1,2,3,6-tetrahydropyridine
CID 53161184
4-{1-Ethyl-1H-pyrrolo[2,3-B]pyridin-3-YL}-1-(4-methoxybenzenesulfonyl)-1,2,3,6-tetrahydropyridine
CID 53161201
1-(4-Methoxybenzenesulfonyl)-4-[1-(propan-2-YL)-1H-pyrrolo[2,3-B]pyridin-3-YL]-1,2,3,6-tetrahydropyridine
CID 53161241
3-{1-[(3-chloro-4-methoxyphenyl)sulfonyl]-1,2,3,6-tetrahydropyridin-4-yl}-1-propyl-1H-pyrrolo[2,3-b]pyridine
CID 71830230
1-(5-Chloro-2-methoxybenzenesulfonyl)-4-{1-propyl-1H-pyrrolo[2,3-B]pyridin-3-YL}-1,2,3,6-tetrahydropyridine
CID 71840195
3-chloro-6-(4-methoxyphenyl)-9-(benzenesulfonyl)-9H-pyrido[2,3-b]indole
CID 46186440
9-(Benzenesulfonyl)-4-chloro-6-(4-methoxyphenyl)pyrido[2,3-b]indole
CID 46186693
3-[3-fluoro-4-(methyloxy)phenyl]-1-[(4-methylphenyl)sulfonyl]-5-phenyl-1H-pyrrolo[2,3-b]pyridine
CID 57871070
[5-(7-benzenesulfonyl-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-5-ylmethyl)-6-fluoro-pyridin-2-yl]-(2-chloro-benzyl)-amine
CID 57963186
3-fluoro-9-[(4-methylphenyl)sulfonyl]-6-methoxy-9H-pyrrolo[2,3-b:5,4-c']dipyridine
CID 67076567

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2,6-dimethoxy-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;ethane?
The IUPAC name of 4-chloro-3-(2,6-dimethoxy-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;ethane (CID 144646907) is 4-chloro-3-(2,6-dimethoxy-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;ethane.
What is the SMILES notation for 4-chloro-3-(2,6-dimethoxy-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;ethane?
The canonical SMILES for 4-chloro-3-(2,6-dimethoxy-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;ethane is CC.COc1ccc(-c2cn(S(=O)(=O)c3ccc(C)cc3)c3nccc(Cl)c23)c(OC)n1.
What is the InChIKey of 4-chloro-3-(2,6-dimethoxy-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;ethane?
The InChIKey is RGQRLHFMZODCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O4S.C2H6/c1-13-4-6-14(7-5-13)30(26,27)25-12-16(19-17(22)10-11-23-20(19)25)15-8-9-18(28-2)24-21(15)29-3;1-2/h4-12H,1-3H3;1-2H3.
What are the key properties of 4-chloro-3-(2,6-dimethoxy-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;ethane?
4-chloro-3-(2,6-dimethoxy-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;ethane has a molecular weight of 473.98 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2,6-dimethoxy-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;ethane is sourced from PubChem (CID 144646907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).