5-bromo-1-(4-methylphenyl)sulfonyl-2H-pyrrolo[2,3-b]pyridin-3-one

C14H11BrN2O3S — CID 67078299

IUPAC5-bromo-1-(4-methylphenyl)sulfonyl-2H-pyrrolo[2,3-b]pyridin-3-one
SMILESCc1ccc(S(=O)(=O)N2CC(=O)c3cc(Br)cnc32)cc1
InChIInChI=1S/C14H11BrN2O3S/c1-9-2-4-11(5-3-9)21(19,20)17-8-13(18)12-6-10(15)7-16-14(12)17/h2-7H,8H2,1H3
InChIKeyZWDQWFVZZXYDCI-UHFFFAOYSA-N
MW367.22 g/mol
LogP2.54
Rot. Bonds2

About 5-bromo-1-(4-methylphenyl)sulfonyl-2H-pyrrolo[2,3-b]pyridin-3-one

5-bromo-1-(4-methylphenyl)sulfonyl-2H-pyrrolo[2,3-b]pyridin-3-one (PubChem CID 67078299) has the molecular formula C14H11BrN2O3S and a molecular weight of 367.22 g/mol. Its IUPAC name is 5-bromo-1-(4-methylphenyl)sulfonyl-2H-pyrrolo[2,3-b]pyridin-3-one.

Molecular Properties

Compound Name5-bromo-1-(4-methylphenyl)sulfonyl-2H-pyrrolo[2,3-b]pyridin-3-one
PubChem CID67078299
Molecular FormulaC14H11BrN2O3S
Molecular Weight367.22 g/mol
Exact Mass365.97
IUPAC Name5-bromo-1-(4-methylphenyl)sulfonyl-2H-pyrrolo[2,3-b]pyridin-3-one
SMILESCc1ccc(S(=O)(=O)N2CC(=O)c3cc(Br)cnc32)cc1
InChIInChI=1S/C14H11BrN2O3S/c1-9-2-4-11(5-3-9)21(19,20)17-8-13(18)12-6-10(15)7-16-14(12)17/h2-7H,8H2,1H3
InChIKeyZWDQWFVZZXYDCI-UHFFFAOYSA-N
XLogP2.54
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.22
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(4-methylphenyl)sulfonyl-2H-pyrrolo[2,3-b]pyridin-3-one?
The IUPAC name of 5-bromo-1-(4-methylphenyl)sulfonyl-2H-pyrrolo[2,3-b]pyridin-3-one (CID 67078299) is 5-bromo-1-(4-methylphenyl)sulfonyl-2H-pyrrolo[2,3-b]pyridin-3-one.
What is the SMILES notation for 5-bromo-1-(4-methylphenyl)sulfonyl-2H-pyrrolo[2,3-b]pyridin-3-one?
The canonical SMILES for 5-bromo-1-(4-methylphenyl)sulfonyl-2H-pyrrolo[2,3-b]pyridin-3-one is Cc1ccc(S(=O)(=O)N2CC(=O)c3cc(Br)cnc32)cc1.
What is the InChIKey of 5-bromo-1-(4-methylphenyl)sulfonyl-2H-pyrrolo[2,3-b]pyridin-3-one?
The InChIKey is ZWDQWFVZZXYDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O3S/c1-9-2-4-11(5-3-9)21(19,20)17-8-13(18)12-6-10(15)7-16-14(12)17/h2-7H,8H2,1H3.
What are the key properties of 5-bromo-1-(4-methylphenyl)sulfonyl-2H-pyrrolo[2,3-b]pyridin-3-one?
5-bromo-1-(4-methylphenyl)sulfonyl-2H-pyrrolo[2,3-b]pyridin-3-one has a molecular weight of 367.22 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(4-methylphenyl)sulfonyl-2H-pyrrolo[2,3-b]pyridin-3-one is sourced from PubChem (CID 67078299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).