methyl 4-[(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]benzoate

C21H24N2O5S — CID 26568720

IUPACmethyl 4-[(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]benzoate
SMILESCOC(=O)c1ccc(CN2CCc3cc(S(=O)(=O)N4CCOCC4)ccc32)cc1
InChIInChI=1S/C21H24N2O5S/c1-27-21(24)17-4-2-16(3-5-17)15-22-9-8-18-14-19(6-7-20(18)22)29(25,26)23-10-12-28-13-11-23/h2-7,14H,8-13,15H2,1H3
InChIKeySNDJFXBJQNBYJX-UHFFFAOYSA-N
MW416.50 g/mol
LogP2.06
Rot. Bonds5

About methyl 4-[(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]benzoate

methyl 4-[(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]benzoate (PubChem CID 26568720) has the molecular formula C21H24N2O5S and a molecular weight of 416.50 g/mol. Its IUPAC name is methyl 4-[(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]benzoate
PubChem CID26568720
Molecular FormulaC21H24N2O5S
Molecular Weight416.50 g/mol
Exact Mass416.14
IUPAC Namemethyl 4-[(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]benzoate
SMILESCOC(=O)c1ccc(CN2CCc3cc(S(=O)(=O)N4CCOCC4)ccc32)cc1
InChIInChI=1S/C21H24N2O5S/c1-27-21(24)17-4-2-16(3-5-17)15-22-9-8-18-14-19(6-7-20(18)22)29(25,26)23-10-12-28-13-11-23/h2-7,14H,8-13,15H2,1H3
InChIKeySNDJFXBJQNBYJX-UHFFFAOYSA-N
XLogP2.06
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-[(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]benzoate with MolForge

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Related Compounds

N,N-dimethyl-1-[(3-morpholin-4-ylsulfonylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 31875101
methyl 4-[(4-morpholin-4-ylsulfonylphenyl)sulfamoylmethyl]benzoate
CID 28632468
methyl 4-(2,3-dihydroindol-1-ylmethyl)benzoate
CID 6473082
(4-methoxycarbonylphenyl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 4263507
(2-chloro-5-methylphenyl) 4-morpholin-4-ylsulfonylbenzoate
CID 7749830
methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 779059
methyl 3-(3-morpholin-4-ylsulfonylbenzoyl)oxybenzoate
CID 7924246
4-[(1-ethylsulfonyl-2,3-dihydroindol-5-yl)sulfonyl]morpholine
CID 19258973
methyl 4-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinoline-1-carbonyl)benzoate
CID 55433839
methyl 2-(4-morpholin-4-ylsulfonylphenyl)acetate
CID 559409
3-[(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]phenol
CID 75451922
methyl 4-(morpholin-4-ylmethyl)benzoate
CID 10466592

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]benzoate?
The IUPAC name of methyl 4-[(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]benzoate (CID 26568720) is methyl 4-[(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]benzoate.
What is the SMILES notation for methyl 4-[(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]benzoate?
The canonical SMILES for methyl 4-[(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]benzoate is COC(=O)c1ccc(CN2CCc3cc(S(=O)(=O)N4CCOCC4)ccc32)cc1.
What is the InChIKey of methyl 4-[(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]benzoate?
The InChIKey is SNDJFXBJQNBYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5S/c1-27-21(24)17-4-2-16(3-5-17)15-22-9-8-18-14-19(6-7-20(18)22)29(25,26)23-10-12-28-13-11-23/h2-7,14H,8-13,15H2,1H3.
What are the key properties of methyl 4-[(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]benzoate?
methyl 4-[(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]benzoate has a molecular weight of 416.50 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]benzoate is sourced from PubChem (CID 26568720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).