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

C14H12N2O3S — CID 162343729

IUPAC1-(4-methylphenyl)sulfonyl-4H-pyrrolo[3,2-b]pyridin-5-one
SMILESCc1ccc(S(=O)(=O)n2ccc3[nH]c(=O)ccc32)cc1
InChIInChI=1S/C14H12N2O3S/c1-10-2-4-11(5-3-10)20(18,19)16-9-8-12-13(16)6-7-14(17)15-12/h2-9H,1H3,(H,15,17)
InChIKeyRPNANOFCJNRGGK-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.88
Rot. Bonds2

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

1-(4-methylphenyl)sulfonyl-4H-pyrrolo[3,2-b]pyridin-5-one (PubChem CID 162343729) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-4H-pyrrolo[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-4H-pyrrolo[3,2-b]pyridin-5-one
PubChem CID162343729
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC Name1-(4-methylphenyl)sulfonyl-4H-pyrrolo[3,2-b]pyridin-5-one
SMILESCc1ccc(S(=O)(=O)n2ccc3[nH]c(=O)ccc32)cc1
InChIInChI=1S/C14H12N2O3S/c1-10-2-4-11(5-3-10)20(18,19)16-9-8-12-13(16)6-7-14(17)15-12/h2-9H,1H3,(H,15,17)
InChIKeyRPNANOFCJNRGGK-UHFFFAOYSA-N
XLogP1.88
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-iodo-1-(4-methylphenyl)sulfonylindole
CID 10872988
5-bromo-1-(4-methylphenyl)sulfonylindole
CID 11954618
(2Z,5Z,8Z)-1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazonine
CID 12599640
2,3-dimethyl-1-(4-methylphenyl)sulfonylpyrrole
CID 102326520
5-indol-1-yl-1-(4-methylphenyl)sulfonylindole
CID 177408616
2-methyl-1-(4-methylphenyl)sulfonylpyrrole
CID 839845
1-(4-methylphenyl)sulfonyl-7H-pyrrolo[2,3-b]pyridin-4-one
CID 151544387
1-(4-methylphenyl)sulfonylindole-4-carbaldehyde
CID 13115093
5-amino-3-(4-methylphenyl)sulfonyl-1H-benzimidazol-2-one
CID 110724096
2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylimidazole
CID 110537991
5-fluoro-1-(4-methylphenyl)sulfonylpyrimidine-2,4-dione
CID 562851
N,N-dimethyl-1-(4-methylphenyl)sulfonylindole-5-carboxamide
CID 175152929

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-4H-pyrrolo[3,2-b]pyridin-5-one?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-4H-pyrrolo[3,2-b]pyridin-5-one (CID 162343729) is 1-(4-methylphenyl)sulfonyl-4H-pyrrolo[3,2-b]pyridin-5-one.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-4H-pyrrolo[3,2-b]pyridin-5-one?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-4H-pyrrolo[3,2-b]pyridin-5-one is Cc1ccc(S(=O)(=O)n2ccc3[nH]c(=O)ccc32)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-4H-pyrrolo[3,2-b]pyridin-5-one?
The InChIKey is RPNANOFCJNRGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c1-10-2-4-11(5-3-10)20(18,19)16-9-8-12-13(16)6-7-14(17)15-12/h2-9H,1H3,(H,15,17).
What are the key properties of 1-(4-methylphenyl)sulfonyl-4H-pyrrolo[3,2-b]pyridin-5-one?
1-(4-methylphenyl)sulfonyl-4H-pyrrolo[3,2-b]pyridin-5-one has a molecular weight of 288.33 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-4H-pyrrolo[3,2-b]pyridin-5-one is sourced from PubChem (CID 162343729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).