1-(benzenesulfonyl)-4-bromo-2-(furan-3-yl)pyrrolo[2,3-b]pyridine

C17H11BrN2O3S — CID 73013543

IUPAC1-(benzenesulfonyl)-4-bromo-2-(furan-3-yl)pyrrolo[2,3-b]pyridine
SMILESO=S(=O)(c1ccccc1)n1c(-c2ccoc2)cc2c(Br)ccnc21
InChIInChI=1S/C17H11BrN2O3S/c18-15-6-8-19-17-14(15)10-16(12-7-9-23-11-12)20(17)24(21,22)13-4-2-1-3-5-13/h1-11H
InChIKeyFCZNBDPQPQWDMZ-UHFFFAOYSA-N
MW403.26 g/mol
LogP4.30
Rot. Bonds3

About 1-(benzenesulfonyl)-4-bromo-2-(furan-3-yl)pyrrolo[2,3-b]pyridine

1-(benzenesulfonyl)-4-bromo-2-(furan-3-yl)pyrrolo[2,3-b]pyridine (PubChem CID 73013543) has the molecular formula C17H11BrN2O3S and a molecular weight of 403.26 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-bromo-2-(furan-3-yl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-bromo-2-(furan-3-yl)pyrrolo[2,3-b]pyridine
PubChem CID73013543
Molecular FormulaC17H11BrN2O3S
Molecular Weight403.26 g/mol
Exact Mass401.97
IUPAC Name1-(benzenesulfonyl)-4-bromo-2-(furan-3-yl)pyrrolo[2,3-b]pyridine
SMILESO=S(=O)(c1ccccc1)n1c(-c2ccoc2)cc2c(Br)ccnc21
InChIInChI=1S/C17H11BrN2O3S/c18-15-6-8-19-17-14(15)10-16(12-7-9-23-11-12)20(17)24(21,22)13-4-2-1-3-5-13/h1-11H
InChIKeyFCZNBDPQPQWDMZ-UHFFFAOYSA-N
XLogP4.30
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.26
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-bromo-2-(furan-3-yl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(benzenesulfonyl)-4-bromo-2-(furan-3-yl)pyrrolo[2,3-b]pyridine (CID 73013543) is 1-(benzenesulfonyl)-4-bromo-2-(furan-3-yl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-bromo-2-(furan-3-yl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(benzenesulfonyl)-4-bromo-2-(furan-3-yl)pyrrolo[2,3-b]pyridine is O=S(=O)(c1ccccc1)n1c(-c2ccoc2)cc2c(Br)ccnc21.
What is the InChIKey of 1-(benzenesulfonyl)-4-bromo-2-(furan-3-yl)pyrrolo[2,3-b]pyridine?
The InChIKey is FCZNBDPQPQWDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrN2O3S/c18-15-6-8-19-17-14(15)10-16(12-7-9-23-11-12)20(17)24(21,22)13-4-2-1-3-5-13/h1-11H.
What are the key properties of 1-(benzenesulfonyl)-4-bromo-2-(furan-3-yl)pyrrolo[2,3-b]pyridine?
1-(benzenesulfonyl)-4-bromo-2-(furan-3-yl)pyrrolo[2,3-b]pyridine has a molecular weight of 403.26 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-bromo-2-(furan-3-yl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 73013543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).