ethyl 4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate

C18H19NO4S — CID 42992372

IUPACethyl 4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)N2c3ccccc3CC2C)cc1
InChIInChI=1S/C18H19NO4S/c1-3-23-18(20)14-8-10-16(11-9-14)24(21,22)19-13(2)12-15-6-4-5-7-17(15)19/h4-11,13H,3,12H2,1-2H3
InChIKeyFGTGLUOUGFZWKT-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.00
Rot. Bonds4

About ethyl 4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate

ethyl 4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate (PubChem CID 42992372) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is ethyl 4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate
PubChem CID42992372
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC Nameethyl 4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)N2c3ccccc3CC2C)cc1
InChIInChI=1S/C18H19NO4S/c1-3-23-18(20)14-8-10-16(11-9-14)24(21,22)19-13(2)12-15-6-4-5-7-17(15)19/h4-11,13H,3,12H2,1-2H3
InChIKeyFGTGLUOUGFZWKT-UHFFFAOYSA-N
XLogP3.00
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate
CID 24556093
ethyl N-[4-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]carbamate
CID 28962185
ethyl N-[4-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]carbamate
CID 28962182
2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]acetic acid
CID 42958546
[2-(diethylamino)-2-oxoethyl] 3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzoate
CID 2539387
3-[4-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]propanoic acid
CID 7516346
2-methyl-1-(4-phenoxyphenyl)sulfonyl-2,3-dihydroindole
CID 43915536
ethyl 4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylbenzoate
CID 1460101
ethyl 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 7938499
[2-(3,4-difluorophenyl)-2-oxoethyl] 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate
CID 42963889
4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzonitrile
CID 24694007
(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate
CID 18130489

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate?
The IUPAC name of ethyl 4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate (CID 42992372) is ethyl 4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate.
What is the SMILES notation for ethyl 4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate?
The canonical SMILES for ethyl 4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate is CCOC(=O)c1ccc(S(=O)(=O)N2c3ccccc3CC2C)cc1.
What is the InChIKey of ethyl 4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate?
The InChIKey is FGTGLUOUGFZWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4S/c1-3-23-18(20)14-8-10-16(11-9-14)24(21,22)19-13(2)12-15-6-4-5-7-17(15)19/h4-11,13H,3,12H2,1-2H3.
What are the key properties of ethyl 4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate?
ethyl 4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate has a molecular weight of 345.42 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate is sourced from PubChem (CID 42992372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).