4-bromo-6-methyl-5-(4-methylphenyl)sulfonyl-1H-pyrrolo[2,3-c]pyridin-7-one

C15H13BrN2O3S — CID 121334582

IUPAC4-bromo-6-methyl-5-(4-methylphenyl)sulfonyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCc1ccc(S(=O)(=O)c2c(Br)c3cc[nH]c3c(=O)n2C)cc1
InChIInChI=1S/C15H13BrN2O3S/c1-9-3-5-10(6-4-9)22(20,21)15-12(16)11-7-8-17-13(11)14(19)18(15)2/h3-8,17H,1-2H3
InChIKeyZBKDVGMXQXJFBP-UHFFFAOYSA-N
MW381.25 g/mol
LogP2.77
Rot. Bonds2

About 4-bromo-6-methyl-5-(4-methylphenyl)sulfonyl-1H-pyrrolo[2,3-c]pyridin-7-one

4-bromo-6-methyl-5-(4-methylphenyl)sulfonyl-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 121334582) has the molecular formula C15H13BrN2O3S and a molecular weight of 381.25 g/mol. Its IUPAC name is 4-bromo-6-methyl-5-(4-methylphenyl)sulfonyl-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name4-bromo-6-methyl-5-(4-methylphenyl)sulfonyl-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID121334582
Molecular FormulaC15H13BrN2O3S
Molecular Weight381.25 g/mol
Exact Mass379.98
IUPAC Name4-bromo-6-methyl-5-(4-methylphenyl)sulfonyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCc1ccc(S(=O)(=O)c2c(Br)c3cc[nH]c3c(=O)n2C)cc1
InChIInChI=1S/C15H13BrN2O3S/c1-9-3-5-10(6-4-9)22(20,21)15-12(16)11-7-8-17-13(11)14(19)18(15)2/h3-8,17H,1-2H3
InChIKeyZBKDVGMXQXJFBP-UHFFFAOYSA-N
XLogP2.77
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.25
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-methyl-5-(4-methylphenyl)sulfonyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 4-bromo-6-methyl-5-(4-methylphenyl)sulfonyl-1H-pyrrolo[2,3-c]pyridin-7-one (CID 121334582) is 4-bromo-6-methyl-5-(4-methylphenyl)sulfonyl-1H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 4-bromo-6-methyl-5-(4-methylphenyl)sulfonyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 4-bromo-6-methyl-5-(4-methylphenyl)sulfonyl-1H-pyrrolo[2,3-c]pyridin-7-one is Cc1ccc(S(=O)(=O)c2c(Br)c3cc[nH]c3c(=O)n2C)cc1.
What is the InChIKey of 4-bromo-6-methyl-5-(4-methylphenyl)sulfonyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is ZBKDVGMXQXJFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O3S/c1-9-3-5-10(6-4-9)22(20,21)15-12(16)11-7-8-17-13(11)14(19)18(15)2/h3-8,17H,1-2H3.
What are the key properties of 4-bromo-6-methyl-5-(4-methylphenyl)sulfonyl-1H-pyrrolo[2,3-c]pyridin-7-one?
4-bromo-6-methyl-5-(4-methylphenyl)sulfonyl-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 381.25 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-methyl-5-(4-methylphenyl)sulfonyl-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 121334582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).