1-[2-[1-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one

C20H20Cl2N2O4S — CID 146604829

IUPAC1-[2-[1-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCC1CN(S(=O)(=O)c2cc(Cl)cc(Cl)c2O)c2ccccc21
InChIInChI=1S/C20H20Cl2N2O4S/c21-14-10-16(22)20(26)18(11-14)29(27,28)24-12-13(15-4-1-2-5-17(15)24)7-9-23-8-3-6-19(23)25/h1-2,4-5,10-11,13,26H,3,6-9,12H2
InChIKeyOOMNKGCBDMJJDO-UHFFFAOYSA-N
MW455.36 g/mol
LogP4.00
Rot. Bonds5

About 1-[2-[1-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one

1-[2-[1-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one (PubChem CID 146604829) has the molecular formula C20H20Cl2N2O4S and a molecular weight of 455.36 g/mol. Its IUPAC name is 1-[2-[1-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
PubChem CID146604829
Molecular FormulaC20H20Cl2N2O4S
Molecular Weight455.36 g/mol
Exact Mass454.05
IUPAC Name1-[2-[1-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCC1CN(S(=O)(=O)c2cc(Cl)cc(Cl)c2O)c2ccccc21
InChIInChI=1S/C20H20Cl2N2O4S/c21-14-10-16(22)20(26)18(11-14)29(27,28)24-12-13(15-4-1-2-5-17(15)24)7-9-23-8-3-6-19(23)25/h1-2,4-5,10-11,13,26H,3,6-9,12H2
InChIKeyOOMNKGCBDMJJDO-UHFFFAOYSA-N
XLogP4.00
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.36
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_A(43)', 'substructure': 'N/A'}

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Related Compounds

N-(1-acetyl-2,3-dihydroindol-4-yl)-3-chloro-2-hydroxybenzenesulfonamide
CID 166396248
2,4-dichloro-6-spiro[2H-indole-3,4'-oxane]-1-ylsulfonylphenol
CID 146604362
1-[2-[1-(3,5-Dichloro-2-hydroxyphenyl)sulfonyl-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-ol
CID 146619146
2,4-Dichloro-6-(2,3-dihydroindol-1-ylsulfonyl)phenol
CID 3667904
2,4-Dichloro-6-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenol
CID 24017358
6-[(3,5-Dichloro-2-hydroxyphenyl)sulfonylamino]-2,3-dihydroindole-1-carboxamide
CID 166255891
3-chloro-2-hydroxy-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide
CID 166396544

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[1-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one (CID 146604829) is 1-[2-[1-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[1-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[1-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one is O=C1CCCN1CCC1CN(S(=O)(=O)c2cc(Cl)cc(Cl)c2O)c2ccccc21.
What is the InChIKey of 1-[2-[1-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one?
The InChIKey is OOMNKGCBDMJJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O4S/c21-14-10-16(22)20(26)18(11-14)29(27,28)24-12-13(15-4-1-2-5-17(15)24)7-9-23-8-3-6-19(23)25/h1-2,4-5,10-11,13,26H,3,6-9,12H2.
What are the key properties of 1-[2-[1-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one?
1-[2-[1-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one has a molecular weight of 455.36 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 146604829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).