1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridine

C19H14N2O2S — CID 19703007

IUPAC1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridine
SMILESO=S(=O)(c1ccccc1)n1c(-c2ccccc2)cc2cccnc21
InChIInChI=1S/C19H14N2O2S/c22-24(23,17-11-5-2-6-12-17)21-18(15-8-3-1-4-9-15)14-16-10-7-13-20-19(16)21/h1-14H
InChIKeyXRRXBCAONGTTJH-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.94
Rot. Bonds3

About 1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridine

1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridine (PubChem CID 19703007) has the molecular formula C19H14N2O2S and a molecular weight of 334.40 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridine
PubChem CID19703007
Molecular FormulaC19H14N2O2S
Molecular Weight334.40 g/mol
Exact Mass334.08
IUPAC Name1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridine
SMILESO=S(=O)(c1ccccc1)n1c(-c2ccccc2)cc2cccnc21
InChIInChI=1S/C19H14N2O2S/c22-24(23,17-11-5-2-6-12-17)21-18(15-8-3-1-4-9-15)14-16-10-7-13-20-19(16)21/h1-14H
InChIKeyXRRXBCAONGTTJH-UHFFFAOYSA-N
XLogP3.94
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridine (CID 19703007) is 1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridine is O=S(=O)(c1ccccc1)n1c(-c2ccccc2)cc2cccnc21.
What is the InChIKey of 1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridine?
The InChIKey is XRRXBCAONGTTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S/c22-24(23,17-11-5-2-6-12-17)21-18(15-8-3-1-4-9-15)14-16-10-7-13-20-19(16)21/h1-14H.
What are the key properties of 1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridine?
1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridine has a molecular weight of 334.40 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 19703007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).