3-methoxy-1-(4-propan-2-yloxyphenyl)sulfonyl-3H-indol-2-one

C18H19NO5S — CID 154359885

IUPAC3-methoxy-1-(4-propan-2-yloxyphenyl)sulfonyl-3H-indol-2-one
SMILESCOC1C(=O)N(S(=O)(=O)c2ccc(OC(C)C)cc2)c2ccccc21
InChIInChI=1S/C18H19NO5S/c1-12(2)24-13-8-10-14(11-9-13)25(21,22)19-16-7-5-4-6-15(16)17(23-3)18(19)20/h4-12,17H,1-3H3
InChIKeyVNHGCACMGKBMGI-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.90
Rot. Bonds5

About 3-methoxy-1-(4-propan-2-yloxyphenyl)sulfonyl-3H-indol-2-one

3-methoxy-1-(4-propan-2-yloxyphenyl)sulfonyl-3H-indol-2-one (PubChem CID 154359885) has the molecular formula C18H19NO5S and a molecular weight of 361.42 g/mol. Its IUPAC name is 3-methoxy-1-(4-propan-2-yloxyphenyl)sulfonyl-3H-indol-2-one.

Molecular Properties

Compound Name3-methoxy-1-(4-propan-2-yloxyphenyl)sulfonyl-3H-indol-2-one
PubChem CID154359885
Molecular FormulaC18H19NO5S
Molecular Weight361.42 g/mol
Exact Mass361.10
IUPAC Name3-methoxy-1-(4-propan-2-yloxyphenyl)sulfonyl-3H-indol-2-one
SMILESCOC1C(=O)N(S(=O)(=O)c2ccc(OC(C)C)cc2)c2ccccc21
InChIInChI=1S/C18H19NO5S/c1-12(2)24-13-8-10-14(11-9-13)25(21,22)19-16-7-5-4-6-15(16)17(23-3)18(19)20/h4-12,17H,1-3H3
InChIKeyVNHGCACMGKBMGI-UHFFFAOYSA-N
XLogP2.90
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(4-propan-2-yloxyphenyl)sulfonyl-3H-indol-2-one?
The IUPAC name of 3-methoxy-1-(4-propan-2-yloxyphenyl)sulfonyl-3H-indol-2-one (CID 154359885) is 3-methoxy-1-(4-propan-2-yloxyphenyl)sulfonyl-3H-indol-2-one.
What is the SMILES notation for 3-methoxy-1-(4-propan-2-yloxyphenyl)sulfonyl-3H-indol-2-one?
The canonical SMILES for 3-methoxy-1-(4-propan-2-yloxyphenyl)sulfonyl-3H-indol-2-one is COC1C(=O)N(S(=O)(=O)c2ccc(OC(C)C)cc2)c2ccccc21.
What is the InChIKey of 3-methoxy-1-(4-propan-2-yloxyphenyl)sulfonyl-3H-indol-2-one?
The InChIKey is VNHGCACMGKBMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5S/c1-12(2)24-13-8-10-14(11-9-13)25(21,22)19-16-7-5-4-6-15(16)17(23-3)18(19)20/h4-12,17H,1-3H3.
What are the key properties of 3-methoxy-1-(4-propan-2-yloxyphenyl)sulfonyl-3H-indol-2-one?
3-methoxy-1-(4-propan-2-yloxyphenyl)sulfonyl-3H-indol-2-one has a molecular weight of 361.42 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(4-propan-2-yloxyphenyl)sulfonyl-3H-indol-2-one is sourced from PubChem (CID 154359885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).