4-[1-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one

C28H21ClN4O5S2 — CID 155648314

IUPAC4-[1-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one
SMILESCc1ccc(S(=O)(=O)n2ccc3c(-c4ccc5ccn(S(=O)(=O)c6ccc(Cl)cc6)c5n4)cn(C)c(=O)c32)cc1
InChIInChI=1S/C28H21ClN4O5S2/c1-18-3-8-21(9-4-18)39(35,36)32-16-14-23-24(17-31(2)28(34)26(23)32)25-12-5-19-13-15-33(27(19)30-25)40(37,38)22-10-6-20(29)7-11-22/h3-17H,1-2H3
InChIKeyNVAWWVQINQQGSX-UHFFFAOYSA-N
MW593.09 g/mol
LogP4.79
Rot. Bonds5

About 4-[1-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one

4-[1-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one (PubChem CID 155648314) has the molecular formula C28H21ClN4O5S2 and a molecular weight of 593.09 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one
PubChem CID155648314
Molecular FormulaC28H21ClN4O5S2
Molecular Weight593.09 g/mol
Exact Mass592.06
IUPAC Name4-[1-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one
SMILESCc1ccc(S(=O)(=O)n2ccc3c(-c4ccc5ccn(S(=O)(=O)c6ccc(Cl)cc6)c5n4)cn(C)c(=O)c32)cc1
InChIInChI=1S/C28H21ClN4O5S2/c1-18-3-8-21(9-4-18)39(35,36)32-16-14-23-24(17-31(2)28(34)26(23)32)25-12-5-19-13-15-33(27(19)30-25)40(37,38)22-10-6-20(29)7-11-22/h3-17H,1-2H3
InChIKeyNVAWWVQINQQGSX-UHFFFAOYSA-N
XLogP4.79
TPSA113.03 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500593.09
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 4-[1-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one (CID 155648314) is 4-[1-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 4-[1-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 4-[1-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one is Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc5ccn(S(=O)(=O)c6ccc(Cl)cc6)c5n4)cn(C)c(=O)c32)cc1.
What is the InChIKey of 4-[1-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one?
The InChIKey is NVAWWVQINQQGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21ClN4O5S2/c1-18-3-8-21(9-4-18)39(35,36)32-16-14-23-24(17-31(2)28(34)26(23)32)25-12-5-19-13-15-33(27(19)30-25)40(37,38)22-10-6-20(29)7-11-22/h3-17H,1-2H3.
What are the key properties of 4-[1-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one?
4-[1-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one has a molecular weight of 593.09 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 155648314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).