1-(benzenesulfonyl)pyrrolo[3,2-c]isoquinoline

C17H12N2O2S — CID 15474221

IUPAC1-(benzenesulfonyl)pyrrolo[3,2-c]isoquinoline
SMILESO=S(=O)(c1ccccc1)n1ccc2ncc3ccccc3c21
InChIInChI=1S/C17H12N2O2S/c20-22(21,14-7-2-1-3-8-14)19-11-10-16-17(19)15-9-5-4-6-13(15)12-18-16/h1-12H
InChIKeyMOECSSXSYNPBFI-UHFFFAOYSA-N
MW308.36 g/mol
LogP3.43
Rot. Bonds2

About 1-(benzenesulfonyl)pyrrolo[3,2-c]isoquinoline

1-(benzenesulfonyl)pyrrolo[3,2-c]isoquinoline (PubChem CID 15474221) has the molecular formula C17H12N2O2S and a molecular weight of 308.36 g/mol. Its IUPAC name is 1-(benzenesulfonyl)pyrrolo[3,2-c]isoquinoline.

Molecular Properties

Compound Name1-(benzenesulfonyl)pyrrolo[3,2-c]isoquinoline
PubChem CID15474221
Molecular FormulaC17H12N2O2S
Molecular Weight308.36 g/mol
Exact Mass308.06
IUPAC Name1-(benzenesulfonyl)pyrrolo[3,2-c]isoquinoline
SMILESO=S(=O)(c1ccccc1)n1ccc2ncc3ccccc3c21
InChIInChI=1S/C17H12N2O2S/c20-22(21,14-7-2-1-3-8-14)19-11-10-16-17(19)15-9-5-4-6-13(15)12-18-16/h1-12H
InChIKeyMOECSSXSYNPBFI-UHFFFAOYSA-N
XLogP3.43
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)pyrrolo[3,2-c]isoquinoline?
The IUPAC name of 1-(benzenesulfonyl)pyrrolo[3,2-c]isoquinoline (CID 15474221) is 1-(benzenesulfonyl)pyrrolo[3,2-c]isoquinoline.
What is the SMILES notation for 1-(benzenesulfonyl)pyrrolo[3,2-c]isoquinoline?
The canonical SMILES for 1-(benzenesulfonyl)pyrrolo[3,2-c]isoquinoline is O=S(=O)(c1ccccc1)n1ccc2ncc3ccccc3c21.
What is the InChIKey of 1-(benzenesulfonyl)pyrrolo[3,2-c]isoquinoline?
The InChIKey is MOECSSXSYNPBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2S/c20-22(21,14-7-2-1-3-8-14)19-11-10-16-17(19)15-9-5-4-6-13(15)12-18-16/h1-12H.
What are the key properties of 1-(benzenesulfonyl)pyrrolo[3,2-c]isoquinoline?
1-(benzenesulfonyl)pyrrolo[3,2-c]isoquinoline has a molecular weight of 308.36 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)pyrrolo[3,2-c]isoquinoline is sourced from PubChem (CID 15474221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).