(4-methylsulfonylphenyl)-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone

C15H12N2O3S — CID 127038928

IUPAC(4-methylsulfonylphenyl)-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone
SMILESCS(=O)(=O)c1ccc(C(=O)c2cc3cccnc3[nH]2)cc1
InChIInChI=1S/C15H12N2O3S/c1-21(19,20)12-6-4-10(5-7-12)14(18)13-9-11-3-2-8-16-15(11)17-13/h2-9H,1H3,(H,16,17)
InChIKeyPTYNOUCERAWTQI-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.20
Rot. Bonds3

About (4-methylsulfonylphenyl)-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone

(4-methylsulfonylphenyl)-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone (PubChem CID 127038928) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is (4-methylsulfonylphenyl)-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone.

Molecular Properties

Compound Name(4-methylsulfonylphenyl)-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone
PubChem CID127038928
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name(4-methylsulfonylphenyl)-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone
SMILESCS(=O)(=O)c1ccc(C(=O)c2cc3cccnc3[nH]2)cc1
InChIInChI=1S/C15H12N2O3S/c1-21(19,20)12-6-4-10(5-7-12)14(18)13-9-11-3-2-8-16-15(11)17-13/h2-9H,1H3,(H,16,17)
InChIKeyPTYNOUCERAWTQI-UHFFFAOYSA-N
XLogP2.20
TPSA79.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylsulfonylphenyl)-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone?
The IUPAC name of (4-methylsulfonylphenyl)-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone (CID 127038928) is (4-methylsulfonylphenyl)-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone.
What is the SMILES notation for (4-methylsulfonylphenyl)-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone?
The canonical SMILES for (4-methylsulfonylphenyl)-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone is CS(=O)(=O)c1ccc(C(=O)c2cc3cccnc3[nH]2)cc1.
What is the InChIKey of (4-methylsulfonylphenyl)-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone?
The InChIKey is PTYNOUCERAWTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c1-21(19,20)12-6-4-10(5-7-12)14(18)13-9-11-3-2-8-16-15(11)17-13/h2-9H,1H3,(H,16,17).
What are the key properties of (4-methylsulfonylphenyl)-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone?
(4-methylsulfonylphenyl)-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone has a molecular weight of 300.34 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfonylphenyl)-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone is sourced from PubChem (CID 127038928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).