[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl] 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]benzoate

C21H23ClN2O7S — CID 25331358

IUPAC[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl] 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]benzoate
SMILESCOc1ccc(NS(=O)(=O)c2cc(C(=O)O[C@H](C)C(=O)N3CCOCC3)ccc2Cl)cc1
InChIInChI=1S/C21H23ClN2O7S/c1-14(20(25)24-9-11-30-12-10-24)31-21(26)15-3-8-18(22)19(13-15)32(27,28)23-16-4-6-17(29-2)7-5-16/h3-8,13-14,23H,9-12H2,1-2H3/t14-/m1/s1
InChIKeyCPLOWWFQASRRGC-CQSZACIVSA-N
MW482.94 g/mol
LogP2.55
Rot. Bonds7

About [(2R)-1-morpholin-4-yl-1-oxopropan-2-yl] 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]benzoate

[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl] 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]benzoate (PubChem CID 25331358) has the molecular formula C21H23ClN2O7S and a molecular weight of 482.94 g/mol. Its IUPAC name is [(2R)-1-morpholin-4-yl-1-oxopropan-2-yl] 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl] 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]benzoate
PubChem CID25331358
Molecular FormulaC21H23ClN2O7S
Molecular Weight482.94 g/mol
Exact Mass482.09
IUPAC Name[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl] 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]benzoate
SMILESCOc1ccc(NS(=O)(=O)c2cc(C(=O)O[C@H](C)C(=O)N3CCOCC3)ccc2Cl)cc1
InChIInChI=1S/C21H23ClN2O7S/c1-14(20(25)24-9-11-30-12-10-24)31-21(26)15-3-8-18(22)19(13-15)32(27,28)23-16-4-6-17(29-2)7-5-16/h3-8,13-14,23H,9-12H2,1-2H3/t14-/m1/s1
InChIKeyCPLOWWFQASRRGC-CQSZACIVSA-N
XLogP2.55
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.94
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(2R)-1-morpholin-4-yl-1-oxopropan-2-yl] 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]benzoate with MolForge

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Related Compounds

[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl] 4-[(4-methoxyphenyl)sulfamoyl]benzoate
CID 25331106
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 35161549
[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 8884869
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 24539437
(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate
CID 43005274
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]benzoate
CID 40943134
[1-(azepan-1-yl)-1-oxopropan-2-yl] 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 55422049
(1-morpholin-4-yl-1-oxopropan-2-yl) 4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 16528598
(4-methoxyphenyl) 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 42993326
4-chloro-N-(3,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24537222
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-phenylbenzamide
CID 1102140
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzoate
CID 9068373

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-morpholin-4-yl-1-oxopropan-2-yl] 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]benzoate?
The IUPAC name of [(2R)-1-morpholin-4-yl-1-oxopropan-2-yl] 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]benzoate (CID 25331358) is [(2R)-1-morpholin-4-yl-1-oxopropan-2-yl] 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]benzoate.
What is the SMILES notation for [(2R)-1-morpholin-4-yl-1-oxopropan-2-yl] 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]benzoate?
The canonical SMILES for [(2R)-1-morpholin-4-yl-1-oxopropan-2-yl] 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]benzoate is COc1ccc(NS(=O)(=O)c2cc(C(=O)O[C@H](C)C(=O)N3CCOCC3)ccc2Cl)cc1.
What is the InChIKey of [(2R)-1-morpholin-4-yl-1-oxopropan-2-yl] 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]benzoate?
The InChIKey is CPLOWWFQASRRGC-CQSZACIVSA-N. The full InChI is InChI=1S/C21H23ClN2O7S/c1-14(20(25)24-9-11-30-12-10-24)31-21(26)15-3-8-18(22)19(13-15)32(27,28)23-16-4-6-17(29-2)7-5-16/h3-8,13-14,23H,9-12H2,1-2H3/t14-/m1/s1.
What are the key properties of [(2R)-1-morpholin-4-yl-1-oxopropan-2-yl] 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]benzoate?
[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl] 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]benzoate has a molecular weight of 482.94 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-morpholin-4-yl-1-oxopropan-2-yl] 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 25331358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).