propyl 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate

C18H18ClNO4S — CID 24530655

IUPACpropyl 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
SMILESCCCOC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C18H18ClNO4S/c1-2-11-24-18(21)14-7-8-15(19)17(12-14)25(22,23)20-10-9-13-5-3-4-6-16(13)20/h3-8,12H,2,9-11H2,1H3
InChIKeyVXTHZIHWTQQDDZ-UHFFFAOYSA-N
MW379.87 g/mol
LogP3.66
Rot. Bonds5

About propyl 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate

propyl 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate (PubChem CID 24530655) has the molecular formula C18H18ClNO4S and a molecular weight of 379.87 g/mol. Its IUPAC name is propyl 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate.

Molecular Properties

Compound Namepropyl 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
PubChem CID24530655
Molecular FormulaC18H18ClNO4S
Molecular Weight379.87 g/mol
Exact Mass379.06
IUPAC Namepropyl 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
SMILESCCCOC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C18H18ClNO4S/c1-2-11-24-18(21)14-7-8-15(19)17(12-14)25(22,23)20-10-9-13-5-3-4-6-16(13)20/h3-8,12H,2,9-11H2,1H3
InChIKeyVXTHZIHWTQQDDZ-UHFFFAOYSA-N
XLogP3.66
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.87
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[di(propan-2-yl)amino]-2-oxoethyl] 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 2605213
[(2S)-1-amino-1-oxopropan-2-yl] 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 2605283
4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-propoxyphenyl)benzamide
CID 26898070
(5-methyl-1,2-oxazol-3-yl)methyl 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 28575579
[(2R)-3-oxobutan-2-yl] 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 9274404
[2-(2,3-dimethylanilino)-2-oxoethyl] 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 4855677
(5-acetyl-2-methoxyphenyl)methyl 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 2477303
naphthalen-2-yl 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 4599470
[(2S)-1-(dimethylamino)-1-oxopropan-2-yl] 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 93274371
(2-amino-2-oxo-1-phenylethyl) 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 55498688
[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 4846873
[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
CID 2083506

Frequently Asked Questions

What is the IUPAC name of propyl 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate?
The IUPAC name of propyl 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate (CID 24530655) is propyl 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate.
What is the SMILES notation for propyl 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate?
The canonical SMILES for propyl 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate is CCCOC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1.
What is the InChIKey of propyl 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate?
The InChIKey is VXTHZIHWTQQDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO4S/c1-2-11-24-18(21)14-7-8-15(19)17(12-14)25(22,23)20-10-9-13-5-3-4-6-16(13)20/h3-8,12H,2,9-11H2,1H3.
What are the key properties of propyl 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate?
propyl 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate has a molecular weight of 379.87 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate is sourced from PubChem (CID 24530655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).