ethyl 2-[6-[(2,3-dichlorophenyl)sulfonylamino]-3,3-dimethyl-2-oxoindol-1-yl]acetate

C20H20Cl2N2O5S — CID 176656736

IUPACethyl 2-[6-[(2,3-dichlorophenyl)sulfonylamino]-3,3-dimethyl-2-oxoindol-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)C(C)(C)c2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc21
InChIInChI=1S/C20H20Cl2N2O5S/c1-4-29-17(25)11-24-15-10-12(8-9-13(15)20(2,3)19(24)26)23-30(27,28)16-7-5-6-14(21)18(16)22/h5-10,23H,4,11H2,1-3H3
InChIKeyXRYOCOIALZKORQ-UHFFFAOYSA-N
MW471.36 g/mol
LogP3.98
Rot. Bonds6

About ethyl 2-[6-[(2,3-dichlorophenyl)sulfonylamino]-3,3-dimethyl-2-oxoindol-1-yl]acetate

ethyl 2-[6-[(2,3-dichlorophenyl)sulfonylamino]-3,3-dimethyl-2-oxoindol-1-yl]acetate (PubChem CID 176656736) has the molecular formula C20H20Cl2N2O5S and a molecular weight of 471.36 g/mol. Its IUPAC name is ethyl 2-[6-[(2,3-dichlorophenyl)sulfonylamino]-3,3-dimethyl-2-oxoindol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-[(2,3-dichlorophenyl)sulfonylamino]-3,3-dimethyl-2-oxoindol-1-yl]acetate
PubChem CID176656736
Molecular FormulaC20H20Cl2N2O5S
Molecular Weight471.36 g/mol
Exact Mass470.05
IUPAC Nameethyl 2-[6-[(2,3-dichlorophenyl)sulfonylamino]-3,3-dimethyl-2-oxoindol-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)C(C)(C)c2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc21
InChIInChI=1S/C20H20Cl2N2O5S/c1-4-29-17(25)11-24-15-10-12(8-9-13(15)20(2,3)19(24)26)23-30(27,28)16-7-5-6-14(21)18(16)22/h5-10,23H,4,11H2,1-3H3
InChIKeyXRYOCOIALZKORQ-UHFFFAOYSA-N
XLogP3.98
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.36
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-[(2,3-dichlorophenyl)sulfonylamino]-3,3-dimethyl-2-oxoindol-1-yl]acetate?
The IUPAC name of ethyl 2-[6-[(2,3-dichlorophenyl)sulfonylamino]-3,3-dimethyl-2-oxoindol-1-yl]acetate (CID 176656736) is ethyl 2-[6-[(2,3-dichlorophenyl)sulfonylamino]-3,3-dimethyl-2-oxoindol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[6-[(2,3-dichlorophenyl)sulfonylamino]-3,3-dimethyl-2-oxoindol-1-yl]acetate?
The canonical SMILES for ethyl 2-[6-[(2,3-dichlorophenyl)sulfonylamino]-3,3-dimethyl-2-oxoindol-1-yl]acetate is CCOC(=O)CN1C(=O)C(C)(C)c2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc21.
What is the InChIKey of ethyl 2-[6-[(2,3-dichlorophenyl)sulfonylamino]-3,3-dimethyl-2-oxoindol-1-yl]acetate?
The InChIKey is XRYOCOIALZKORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O5S/c1-4-29-17(25)11-24-15-10-12(8-9-13(15)20(2,3)19(24)26)23-30(27,28)16-7-5-6-14(21)18(16)22/h5-10,23H,4,11H2,1-3H3.
What are the key properties of ethyl 2-[6-[(2,3-dichlorophenyl)sulfonylamino]-3,3-dimethyl-2-oxoindol-1-yl]acetate?
ethyl 2-[6-[(2,3-dichlorophenyl)sulfonylamino]-3,3-dimethyl-2-oxoindol-1-yl]acetate has a molecular weight of 471.36 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-[(2,3-dichlorophenyl)sulfonylamino]-3,3-dimethyl-2-oxoindol-1-yl]acetate is sourced from PubChem (CID 176656736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).