7-(4-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridine

C20H15ClN2O3S — CID 66757616

IUPAC7-(4-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridine
SMILESCOc1ccc(S(=O)(=O)n2ccc3ccnc(-c4ccc(Cl)cc4)c32)cc1
InChIInChI=1S/C20H15ClN2O3S/c1-26-17-6-8-18(9-7-17)27(24,25)23-13-11-15-10-12-22-19(20(15)23)14-2-4-16(21)5-3-14/h2-13H,1H3
InChIKeyXGHAVHVANJGMRM-UHFFFAOYSA-N
MW398.87 g/mol
LogP4.60
Rot. Bonds4

About 7-(4-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridine

7-(4-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridine (PubChem CID 66757616) has the molecular formula C20H15ClN2O3S and a molecular weight of 398.87 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name7-(4-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridine
PubChem CID66757616
Molecular FormulaC20H15ClN2O3S
Molecular Weight398.87 g/mol
Exact Mass398.05
IUPAC Name7-(4-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridine
SMILESCOc1ccc(S(=O)(=O)n2ccc3ccnc(-c4ccc(Cl)cc4)c32)cc1
InChIInChI=1S/C20H15ClN2O3S/c1-26-17-6-8-18(9-7-17)27(24,25)23-13-11-15-10-12-22-19(20(15)23)14-2-4-16(21)5-3-14/h2-13H,1H3
InChIKeyXGHAVHVANJGMRM-UHFFFAOYSA-N
XLogP4.60
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.87
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridine?
The IUPAC name of 7-(4-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridine (CID 66757616) is 7-(4-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridine.
What is the SMILES notation for 7-(4-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridine?
The canonical SMILES for 7-(4-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridine is COc1ccc(S(=O)(=O)n2ccc3ccnc(-c4ccc(Cl)cc4)c32)cc1.
What is the InChIKey of 7-(4-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridine?
The InChIKey is XGHAVHVANJGMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O3S/c1-26-17-6-8-18(9-7-17)27(24,25)23-13-11-15-10-12-22-19(20(15)23)14-2-4-16(21)5-3-14/h2-13H,1H3.
What are the key properties of 7-(4-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridine?
7-(4-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridine has a molecular weight of 398.87 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridine is sourced from PubChem (CID 66757616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).