(2-morpholin-4-yl-2-oxoethyl) 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate

C21H21ClN2O6S — CID 2425054

IUPAC(2-morpholin-4-yl-2-oxoethyl) 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
SMILESO=C(OCC(=O)N1CCOCC1)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C21H21ClN2O6S/c22-17-6-5-16(21(26)30-14-20(25)23-9-11-29-12-10-23)13-19(17)31(27,28)24-8-7-15-3-1-2-4-18(15)24/h1-6,13H,7-12,14H2
InChIKeyNYHVPEGVVLQYFF-UHFFFAOYSA-N
MW464.93 g/mol
LogP2.11
Rot. Bonds5

About (2-morpholin-4-yl-2-oxoethyl) 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate

(2-morpholin-4-yl-2-oxoethyl) 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate (PubChem CID 2425054) has the molecular formula C21H21ClN2O6S and a molecular weight of 464.93 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
PubChem CID2425054
Molecular FormulaC21H21ClN2O6S
Molecular Weight464.93 g/mol
Exact Mass464.08
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
SMILESO=C(OCC(=O)N1CCOCC1)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C21H21ClN2O6S/c22-17-6-5-16(21(26)30-14-20(25)23-9-11-29-12-10-23)13-19(17)31(27,28)24-8-7-15-3-1-2-4-18(15)24/h1-6,13H,7-12,14H2
InChIKeyNYHVPEGVVLQYFF-UHFFFAOYSA-N
XLogP2.11
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.93
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(Dimethylamino)-2-oxoethyl] 3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzoate
CID 2083980
(2-Anilino-2-oxoethyl) 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate
CID 2122384
2-[(4-Chloro-3-morpholin-4-ylsulfonylbenzoyl)-methylamino]benzoic acid
CID 2331252
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 2332648
[2-(methylamino)-2-oxoethyl] 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 2365514
(2-Amino-2-oxoethyl) 4-chloro-3-[methyl(phenyl)sulfamoyl]benzoate
CID 2376707
[2-Oxo-2-(prop-2-enylamino)ethyl] 3-[benzyl(phenyl)sulfamoyl]-4-chlorobenzoate
CID 2395779
[2-(5-Chloro-2-cyanoanilino)-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 2432862
[2-[5-(Dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 4-chlorobenzoate
CID 4097006
[2-(4-Methylpiperidin-1-yl)-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 4829026
[2-(3-Methylpiperidin-1-yl)-2-oxoethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
CID 4878924
[2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 16304334

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate (CID 2425054) is (2-morpholin-4-yl-2-oxoethyl) 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate is O=C(OCC(=O)N1CCOCC1)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate?
The InChIKey is NYHVPEGVVLQYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O6S/c22-17-6-5-16(21(26)30-14-20(25)23-9-11-29-12-10-23)13-19(17)31(27,28)24-8-7-15-3-1-2-4-18(15)24/h1-6,13H,7-12,14H2.
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate?
(2-morpholin-4-yl-2-oxoethyl) 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate has a molecular weight of 464.93 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxoethyl) 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate is sourced from PubChem (CID 2425054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).