5-[(3-methoxyphenyl)methylsulfonyl]-1,3-dihydroindol-2-one

C16H15NO4S — CID 18179648

IUPAC5-[(3-methoxyphenyl)methylsulfonyl]-1,3-dihydroindol-2-one
SMILESCOc1cccc(CS(=O)(=O)c2ccc3c(c2)CC(=O)N3)c1
InChIInChI=1S/C16H15NO4S/c1-21-13-4-2-3-11(7-13)10-22(19,20)14-5-6-15-12(8-14)9-16(18)17-15/h2-8H,9-10H2,1H3,(H,17,18)
InChIKeySBOSGMPVZWXDPE-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.16
Rot. Bonds4

About 5-[(3-methoxyphenyl)methylsulfonyl]-1,3-dihydroindol-2-one

5-[(3-methoxyphenyl)methylsulfonyl]-1,3-dihydroindol-2-one (PubChem CID 18179648) has the molecular formula C16H15NO4S and a molecular weight of 317.37 g/mol. Its IUPAC name is 5-[(3-methoxyphenyl)methylsulfonyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[(3-methoxyphenyl)methylsulfonyl]-1,3-dihydroindol-2-one
PubChem CID18179648
Molecular FormulaC16H15NO4S
Molecular Weight317.37 g/mol
Exact Mass317.07
IUPAC Name5-[(3-methoxyphenyl)methylsulfonyl]-1,3-dihydroindol-2-one
SMILESCOc1cccc(CS(=O)(=O)c2ccc3c(c2)CC(=O)N3)c1
InChIInChI=1S/C16H15NO4S/c1-21-13-4-2-3-11(7-13)10-22(19,20)14-5-6-15-12(8-14)9-16(18)17-15/h2-8H,9-10H2,1H3,(H,17,18)
InChIKeySBOSGMPVZWXDPE-UHFFFAOYSA-N
XLogP2.16
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-bromophenyl)methylsulfonyl]-1,3-dihydroindol-2-one
CID 18179929
5-[(3-chlorophenyl)methylsulfonyl]-1,3-dihydroindol-2-one
CID 18179822
5-[(4-nitrophenyl)methylsulfonyl]-1,3-dihydroindol-2-one
CID 18179693
1-(benzenesulfonylmethyl)-3-methoxybenzene;ethane
CID 176977930
N-[(3-methoxyphenyl)methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-2-phenylpropanamide
CID 161104350
3-[(3-methoxyphenyl)sulfonylmethyl]aniline
CID 43444318
5-[(6-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-dihydroindol-2-one
CID 110663091
1-methoxy-3-[(3-methoxyphenyl)methylsulfonylmethyl]benzene
CID 20702839
N-methoxy-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 60664960
N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113102003
5-[(3-methoxyphenyl)-(methylamino)methyl]-1,3-dihydroindol-2-one
CID 43484817
2-oxo-1,3-dihydroindole-5-sulfonyl chloride
CID 4962506

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxyphenyl)methylsulfonyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[(3-methoxyphenyl)methylsulfonyl]-1,3-dihydroindol-2-one (CID 18179648) is 5-[(3-methoxyphenyl)methylsulfonyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[(3-methoxyphenyl)methylsulfonyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[(3-methoxyphenyl)methylsulfonyl]-1,3-dihydroindol-2-one is COc1cccc(CS(=O)(=O)c2ccc3c(c2)CC(=O)N3)c1.
What is the InChIKey of 5-[(3-methoxyphenyl)methylsulfonyl]-1,3-dihydroindol-2-one?
The InChIKey is SBOSGMPVZWXDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4S/c1-21-13-4-2-3-11(7-13)10-22(19,20)14-5-6-15-12(8-14)9-16(18)17-15/h2-8H,9-10H2,1H3,(H,17,18).
What are the key properties of 5-[(3-methoxyphenyl)methylsulfonyl]-1,3-dihydroindol-2-one?
5-[(3-methoxyphenyl)methylsulfonyl]-1,3-dihydroindol-2-one has a molecular weight of 317.37 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxyphenyl)methylsulfonyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 18179648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).