1-(benzenesulfonyl)-4-chloro-5-phenylpyrrolo[2,3-b]pyridine

C19H13ClN2O2S — CID 68762479

IUPAC1-(benzenesulfonyl)-4-chloro-5-phenylpyrrolo[2,3-b]pyridine
SMILESO=S(=O)(c1ccccc1)n1ccc2c(Cl)c(-c3ccccc3)cnc21
InChIInChI=1S/C19H13ClN2O2S/c20-18-16-11-12-22(25(23,24)15-9-5-2-6-10-15)19(16)21-13-17(18)14-7-3-1-4-8-14/h1-13H
InChIKeyBJEDPVLUWWACPX-UHFFFAOYSA-N
MW368.85 g/mol
LogP4.59
Rot. Bonds3

About 1-(benzenesulfonyl)-4-chloro-5-phenylpyrrolo[2,3-b]pyridine

1-(benzenesulfonyl)-4-chloro-5-phenylpyrrolo[2,3-b]pyridine (PubChem CID 68762479) has the molecular formula C19H13ClN2O2S and a molecular weight of 368.85 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-chloro-5-phenylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-chloro-5-phenylpyrrolo[2,3-b]pyridine
PubChem CID68762479
Molecular FormulaC19H13ClN2O2S
Molecular Weight368.85 g/mol
Exact Mass368.04
IUPAC Name1-(benzenesulfonyl)-4-chloro-5-phenylpyrrolo[2,3-b]pyridine
SMILESO=S(=O)(c1ccccc1)n1ccc2c(Cl)c(-c3ccccc3)cnc21
InChIInChI=1S/C19H13ClN2O2S/c20-18-16-11-12-22(25(23,24)15-9-5-2-6-10-15)19(16)21-13-17(18)14-7-3-1-4-8-14/h1-13H
InChIKeyBJEDPVLUWWACPX-UHFFFAOYSA-N
XLogP4.59
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.85
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-chloro-5-phenylpyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(benzenesulfonyl)-4-chloro-5-phenylpyrrolo[2,3-b]pyridine (CID 68762479) is 1-(benzenesulfonyl)-4-chloro-5-phenylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-chloro-5-phenylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(benzenesulfonyl)-4-chloro-5-phenylpyrrolo[2,3-b]pyridine is O=S(=O)(c1ccccc1)n1ccc2c(Cl)c(-c3ccccc3)cnc21.
What is the InChIKey of 1-(benzenesulfonyl)-4-chloro-5-phenylpyrrolo[2,3-b]pyridine?
The InChIKey is BJEDPVLUWWACPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O2S/c20-18-16-11-12-22(25(23,24)15-9-5-2-6-10-15)19(16)21-13-17(18)14-7-3-1-4-8-14/h1-13H.
What are the key properties of 1-(benzenesulfonyl)-4-chloro-5-phenylpyrrolo[2,3-b]pyridine?
1-(benzenesulfonyl)-4-chloro-5-phenylpyrrolo[2,3-b]pyridine has a molecular weight of 368.85 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-chloro-5-phenylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 68762479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).