1-[(5-methoxy-2-pyridinyl)sulfonyl]-3H-indol-2-one

C14H12N2O4S — CID 154065670

IUPAC1-[(5-methoxy-2-pyridinyl)sulfonyl]-3H-indol-2-one
SMILESCOc1ccc(S(=O)(=O)N2C(=O)Cc3ccccc32)nc1
InChIInChI=1S/C14H12N2O4S/c1-20-11-6-7-13(15-9-11)21(18,19)16-12-5-3-2-4-10(12)8-14(16)17/h2-7,9H,8H2,1H3
InChIKeyMXWJIZXXDZZGGW-UHFFFAOYSA-N
MW304.33 g/mol
LogP1.37
Rot. Bonds3

About 1-[(5-methoxy-2-pyridinyl)sulfonyl]-3H-indol-2-one

1-[(5-methoxy-2-pyridinyl)sulfonyl]-3H-indol-2-one (PubChem CID 154065670) has the molecular formula C14H12N2O4S and a molecular weight of 304.33 g/mol. Its IUPAC name is 1-[(5-methoxy-2-pyridinyl)sulfonyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[(5-methoxy-2-pyridinyl)sulfonyl]-3H-indol-2-one
PubChem CID154065670
Molecular FormulaC14H12N2O4S
Molecular Weight304.33 g/mol
Exact Mass304.05
IUPAC Name1-[(5-methoxy-2-pyridinyl)sulfonyl]-3H-indol-2-one
SMILESCOc1ccc(S(=O)(=O)N2C(=O)Cc3ccccc32)nc1
InChIInChI=1S/C14H12N2O4S/c1-20-11-6-7-13(15-9-11)21(18,19)16-12-5-3-2-4-10(12)8-14(16)17/h2-7,9H,8H2,1H3
InChIKeyMXWJIZXXDZZGGW-UHFFFAOYSA-N
XLogP1.37
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-methoxy-2-pyridinyl)sulfonyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
CID 156875863
1-[(2,6-difluorophenyl)methylsulfonyl]-3H-indol-2-one
CID 143074366
3-(2-ethoxyphenyl)-5-isocyano-1-[(5-methoxy-2-pyridinyl)sulfonyl]-3H-indol-2-one
CID 59570799
2-oxo-N-phenyl-3H-indole-1-sulfonamide
CID 23289970
1-(2-methoxyethyl)-3H-indol-2-one
CID 58486241
[(E)-2-(2-fluorophenyl)ethenyl]-imino-(5-methoxy-2-pyridinyl)-oxo-λ6-sulfane
CID 170607300
2-(4-methoxyphenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]acetamide
CID 110730034
1-[(6-methoxy-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline
CID 99803410
CID 165088007
CID 165088007
(2S)-1-(4-methoxy-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 7456409
1-(2,4-dimethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 19683272
1-(6-methoxynaphthalen-2-yl)sulfonyl-2-methyl-2,3-dihydroindole
CID 56727561

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methoxy-2-pyridinyl)sulfonyl]-3H-indol-2-one?
The IUPAC name of 1-[(5-methoxy-2-pyridinyl)sulfonyl]-3H-indol-2-one (CID 154065670) is 1-[(5-methoxy-2-pyridinyl)sulfonyl]-3H-indol-2-one.
What is the SMILES notation for 1-[(5-methoxy-2-pyridinyl)sulfonyl]-3H-indol-2-one?
The canonical SMILES for 1-[(5-methoxy-2-pyridinyl)sulfonyl]-3H-indol-2-one is COc1ccc(S(=O)(=O)N2C(=O)Cc3ccccc32)nc1.
What is the InChIKey of 1-[(5-methoxy-2-pyridinyl)sulfonyl]-3H-indol-2-one?
The InChIKey is MXWJIZXXDZZGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4S/c1-20-11-6-7-13(15-9-11)21(18,19)16-12-5-3-2-4-10(12)8-14(16)17/h2-7,9H,8H2,1H3.
What are the key properties of 1-[(5-methoxy-2-pyridinyl)sulfonyl]-3H-indol-2-one?
1-[(5-methoxy-2-pyridinyl)sulfonyl]-3H-indol-2-one has a molecular weight of 304.33 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methoxy-2-pyridinyl)sulfonyl]-3H-indol-2-one is sourced from PubChem (CID 154065670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).