[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate

C22H23ClN2O6S — CID 2372444

IUPAC[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate
SMILESC[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C22H23ClN2O6S/c1-15-12-16-4-2-3-5-20(16)25(15)21(26)14-31-22(27)18-13-17(6-7-19(18)23)32(28,29)24-8-10-30-11-9-24/h2-7,13,15H,8-12,14H2,1H3/t15-/m0/s1
InChIKeyHDOSOBUYRGMSKO-HNNXBMFYSA-N
MW478.95 g/mol
LogP2.50
Rot. Bonds5

About [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate

[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate (PubChem CID 2372444) has the molecular formula C22H23ClN2O6S and a molecular weight of 478.95 g/mol. Its IUPAC name is [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate
PubChem CID2372444
Molecular FormulaC22H23ClN2O6S
Molecular Weight478.95 g/mol
Exact Mass478.10
IUPAC Name[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate
SMILESC[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C22H23ClN2O6S/c1-15-12-16-4-2-3-5-20(16)25(15)21(26)14-31-22(27)18-13-17(6-7-19(18)23)32(28,29)24-8-10-30-11-9-24/h2-7,13,15H,8-12,14H2,1H3/t15-/m0/s1
InChIKeyHDOSOBUYRGMSKO-HNNXBMFYSA-N
XLogP2.50
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.95
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate with MolForge

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Related Compounds

[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoate
CID 2365285
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 2546782
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone
CID 9331117
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 3983361
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2,5-dichlorobenzoate
CID 4790362
(2-oxo-2-phenothiazin-10-ylethyl) 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 2367280
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate
CID 42979614
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(azepan-1-ylsulfonyl)benzoate
CID 4803148
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 1157344
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2,3-dichlorobenzoate
CID 2399115
3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-one
CID 53298160
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8619953

Frequently Asked Questions

What is the IUPAC name of [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate (CID 2372444) is [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate is C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl.
What is the InChIKey of [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate?
The InChIKey is HDOSOBUYRGMSKO-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H23ClN2O6S/c1-15-12-16-4-2-3-5-20(16)25(15)21(26)14-31-22(27)18-13-17(6-7-19(18)23)32(28,29)24-8-10-30-11-9-24/h2-7,13,15H,8-12,14H2,1H3/t15-/m0/s1.
What are the key properties of [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate?
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate has a molecular weight of 478.95 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 2372444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).