1-(benzenesulfonyl)-5-methoxy-2H-indol-3-one

C15H13NO4S — CID 595498

IUPAC1-(benzenesulfonyl)-5-methoxy-2H-indol-3-one
SMILESCOc1ccc2c(c1)C(=O)CN2S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H13NO4S/c1-20-11-7-8-14-13(9-11)15(17)10-16(14)21(18,19)12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyVPAHAXZIKJAKOG-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.09
Rot. Bonds3

About 1-(benzenesulfonyl)-5-methoxy-2H-indol-3-one

1-(benzenesulfonyl)-5-methoxy-2H-indol-3-one (PubChem CID 595498) has the molecular formula C15H13NO4S and a molecular weight of 303.34 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-methoxy-2H-indol-3-one.

Molecular Properties

Compound Name1-(benzenesulfonyl)-5-methoxy-2H-indol-3-one
PubChem CID595498
Molecular FormulaC15H13NO4S
Molecular Weight303.34 g/mol
Exact Mass303.06
IUPAC Name1-(benzenesulfonyl)-5-methoxy-2H-indol-3-one
SMILESCOc1ccc2c(c1)C(=O)CN2S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H13NO4S/c1-20-11-7-8-14-13(9-11)15(17)10-16(14)21(18,19)12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyVPAHAXZIKJAKOG-UHFFFAOYSA-N
XLogP2.09
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)sulfonyl-6-methoxy-2,3-dihydroquinolin-4-one
CID 110635300
1-naphthalen-2-ylsulfonyl-2H-indol-3-one
CID 172633436
1-(4-bromophenyl)sulfonyl-2H-indol-3-one
CID 102600373
1-(4-chlorophenyl)sulfonyl-2H-indol-3-one
CID 172633432
6-methoxy-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-2,3-dihydroquinolin-4-one
CID 110406799
7-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 110635683
1-(2,5-dimethoxyphenyl)sulfonyl-6-methoxy-2,3-dihydroquinolin-4-one
CID 110635273
1-(benzenesulfonyl)-7-methoxy-3-methyl-3,4-dihydro-2H-quinoline
CID 110663002
(3E)-6-methoxy-1-(4-methylphenyl)sulfonyl-3-(pyridin-4-ylmethylidene)-2H-quinolin-4-one
CID 6510018
2-[1-(benzenesulfonyl)-5-methoxy-2,3-dihydroindol-3-yl]acetic acid
CID 70891893
3-[1-(benzenesulfonyl)-5-methoxy-2,3-dihydroindol-3-yl]propanoic acid
CID 70891868
6-methoxy-1-(5-methylthiophen-2-yl)sulfonyl-2,3-dihydroquinolin-4-one
CID 110635279

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5-methoxy-2H-indol-3-one?
The IUPAC name of 1-(benzenesulfonyl)-5-methoxy-2H-indol-3-one (CID 595498) is 1-(benzenesulfonyl)-5-methoxy-2H-indol-3-one.
What is the SMILES notation for 1-(benzenesulfonyl)-5-methoxy-2H-indol-3-one?
The canonical SMILES for 1-(benzenesulfonyl)-5-methoxy-2H-indol-3-one is COc1ccc2c(c1)C(=O)CN2S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-5-methoxy-2H-indol-3-one?
The InChIKey is VPAHAXZIKJAKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4S/c1-20-11-7-8-14-13(9-11)15(17)10-16(14)21(18,19)12-5-3-2-4-6-12/h2-9H,10H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-5-methoxy-2H-indol-3-one?
1-(benzenesulfonyl)-5-methoxy-2H-indol-3-one has a molecular weight of 303.34 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-5-methoxy-2H-indol-3-one is sourced from PubChem (CID 595498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).