methyl 4-[(4-morpholin-4-ylsulfonylphenyl)sulfamoylmethyl]benzoate

C19H22N2O7S2 — CID 28632468

IUPACmethyl 4-[(4-morpholin-4-ylsulfonylphenyl)sulfamoylmethyl]benzoate
SMILESCOC(=O)c1ccc(CS(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C19H22N2O7S2/c1-27-19(22)16-4-2-15(3-5-16)14-29(23,24)20-17-6-8-18(9-7-17)30(25,26)21-10-12-28-13-11-21/h2-9,20H,10-14H2,1H3
InChIKeyBNKSTHFCGJDHTP-UHFFFAOYSA-N
MW454.53 g/mol
LogP1.44
Rot. Bonds7

About methyl 4-[(4-morpholin-4-ylsulfonylphenyl)sulfamoylmethyl]benzoate

methyl 4-[(4-morpholin-4-ylsulfonylphenyl)sulfamoylmethyl]benzoate (PubChem CID 28632468) has the molecular formula C19H22N2O7S2 and a molecular weight of 454.53 g/mol. Its IUPAC name is methyl 4-[(4-morpholin-4-ylsulfonylphenyl)sulfamoylmethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(4-morpholin-4-ylsulfonylphenyl)sulfamoylmethyl]benzoate
PubChem CID28632468
Molecular FormulaC19H22N2O7S2
Molecular Weight454.53 g/mol
Exact Mass454.09
IUPAC Namemethyl 4-[(4-morpholin-4-ylsulfonylphenyl)sulfamoylmethyl]benzoate
SMILESCOC(=O)c1ccc(CS(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C19H22N2O7S2/c1-27-19(22)16-4-2-15(3-5-16)14-29(23,24)20-17-6-8-18(9-7-17)30(25,26)21-10-12-28-13-11-21/h2-9,20H,10-14H2,1H3
InChIKeyBNKSTHFCGJDHTP-UHFFFAOYSA-N
XLogP1.44
TPSA119.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
CID 92676862
methyl 4-[(4-chlorophenyl)sulfamoylmethyl]benzoate
CID 92683512
methyl 4-[(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]benzoate
CID 26568720
methyl 2-(4-morpholin-4-ylsulfonylphenyl)acetate
CID 559409
methyl 4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]sulfonylmethyl]benzoate
CID 28635499
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 4-morpholin-4-ylsulfonylbenzoate
CID 2108270
methyl 3-(4-morpholin-4-ylsulfonylphenyl)-3-oxopropanoate
CID 118538510
methyl 4-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]benzoate
CID 113078599
(4-methoxycarbonylphenyl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 4263507
methyl 4-piperidin-1-ylsulfonylbenzoate
CID 1428549
4-(morpholin-4-ylsulfonylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 92646444
[2-(4-iodoanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 2353513

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-morpholin-4-ylsulfonylphenyl)sulfamoylmethyl]benzoate?
The IUPAC name of methyl 4-[(4-morpholin-4-ylsulfonylphenyl)sulfamoylmethyl]benzoate (CID 28632468) is methyl 4-[(4-morpholin-4-ylsulfonylphenyl)sulfamoylmethyl]benzoate.
What is the SMILES notation for methyl 4-[(4-morpholin-4-ylsulfonylphenyl)sulfamoylmethyl]benzoate?
The canonical SMILES for methyl 4-[(4-morpholin-4-ylsulfonylphenyl)sulfamoylmethyl]benzoate is COC(=O)c1ccc(CS(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of methyl 4-[(4-morpholin-4-ylsulfonylphenyl)sulfamoylmethyl]benzoate?
The InChIKey is BNKSTHFCGJDHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O7S2/c1-27-19(22)16-4-2-15(3-5-16)14-29(23,24)20-17-6-8-18(9-7-17)30(25,26)21-10-12-28-13-11-21/h2-9,20H,10-14H2,1H3.
What are the key properties of methyl 4-[(4-morpholin-4-ylsulfonylphenyl)sulfamoylmethyl]benzoate?
methyl 4-[(4-morpholin-4-ylsulfonylphenyl)sulfamoylmethyl]benzoate has a molecular weight of 454.53 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-morpholin-4-ylsulfonylphenyl)sulfamoylmethyl]benzoate is sourced from PubChem (CID 28632468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).