naphthalen-1-ylmethyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate

C23H23NO5S — CID 2108780

IUPACnaphthalen-1-ylmethyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCc1cccc2ccccc12
InChIInChI=1S/C23H23NO5S/c1-17-9-10-20(30(26,27)24-11-13-28-14-12-24)15-22(17)23(25)29-16-19-7-4-6-18-5-2-3-8-21(18)19/h2-10,15H,11-14,16H2,1H3
InChIKeyAMXGVXDARXOSKY-UHFFFAOYSA-N
MW425.51 g/mol
LogP3.53
Rot. Bonds5

About naphthalen-1-ylmethyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate

naphthalen-1-ylmethyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate (PubChem CID 2108780) has the molecular formula C23H23NO5S and a molecular weight of 425.51 g/mol. Its IUPAC name is naphthalen-1-ylmethyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Namenaphthalen-1-ylmethyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate
PubChem CID2108780
Molecular FormulaC23H23NO5S
Molecular Weight425.51 g/mol
Exact Mass425.13
IUPAC Namenaphthalen-1-ylmethyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCc1cccc2ccccc12
InChIInChI=1S/C23H23NO5S/c1-17-9-10-20(30(26,27)24-11-13-28-14-12-24)15-22(17)23(25)29-16-19-7-4-6-18-5-2-3-8-21(18)19/h2-10,15H,11-14,16H2,1H3
InChIKeyAMXGVXDARXOSKY-UHFFFAOYSA-N
XLogP3.53
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(Morpholine-4-sulfonyl)-benzoic acid 2-oxo-2-phenyl-ethyl ester
CID 1124162
[2-(2,5-Dimethylphenyl)-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 3879364
[2-Oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 3380710
[1-(4-Ethylphenyl)-1-oxopropan-2-yl] 3-morpholin-4-ylsulfonylbenzoate
CID 4638117
(4-Methylphenyl)methyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 2568850
[3-(Trifluoromethyl)phenyl]methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 3562191
(2-Oxocyclohexyl) 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 4211735
(1-Oxo-1-phenylpropan-2-yl) 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 4292149
[2-(2,5-Dimethylphenyl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 4306640
Naphthalen-1-ylmethyl 1-(benzenesulfonyl)-4-phenylpiperidine-4-carboxylate
CID 4838311
3-(4-Naphthalen-2-ylsulfonylpiperazin-1-yl)sulfonylbenzoic acid
CID 16302875
Methyl 3-(morpholinosulfonyl)benzoate
CID 779656

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-ylmethyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of naphthalen-1-ylmethyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate (CID 2108780) is naphthalen-1-ylmethyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for naphthalen-1-ylmethyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for naphthalen-1-ylmethyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCc1cccc2ccccc12.
What is the InChIKey of naphthalen-1-ylmethyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate?
The InChIKey is AMXGVXDARXOSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO5S/c1-17-9-10-20(30(26,27)24-11-13-28-14-12-24)15-22(17)23(25)29-16-19-7-4-6-18-5-2-3-8-21(18)19/h2-10,15H,11-14,16H2,1H3.
What are the key properties of naphthalen-1-ylmethyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate?
naphthalen-1-ylmethyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate has a molecular weight of 425.51 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-ylmethyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 2108780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).