methyl 5-[[2-chloro-5-[methyl(phenyl)sulfamoyl]benzoyl]oxymethyl]furan-2-carboxylate

C21H18ClNO7S — CID 2577257

IUPACmethyl 5-[[2-chloro-5-[methyl(phenyl)sulfamoyl]benzoyl]oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2Cl)o1
InChIInChI=1S/C21H18ClNO7S/c1-23(14-6-4-3-5-7-14)31(26,27)16-9-10-18(22)17(12-16)20(24)29-13-15-8-11-19(30-15)21(25)28-2/h3-12H,13H2,1-2H3
InChIKeyRVMUTMCDMVBLIG-UHFFFAOYSA-N
MW463.90 g/mol
LogP3.90
Rot. Bonds7

About methyl 5-[[2-chloro-5-[methyl(phenyl)sulfamoyl]benzoyl]oxymethyl]furan-2-carboxylate

methyl 5-[[2-chloro-5-[methyl(phenyl)sulfamoyl]benzoyl]oxymethyl]furan-2-carboxylate (PubChem CID 2577257) has the molecular formula C21H18ClNO7S and a molecular weight of 463.90 g/mol. Its IUPAC name is methyl 5-[[2-chloro-5-[methyl(phenyl)sulfamoyl]benzoyl]oxymethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[2-chloro-5-[methyl(phenyl)sulfamoyl]benzoyl]oxymethyl]furan-2-carboxylate
PubChem CID2577257
Molecular FormulaC21H18ClNO7S
Molecular Weight463.90 g/mol
Exact Mass463.05
IUPAC Namemethyl 5-[[2-chloro-5-[methyl(phenyl)sulfamoyl]benzoyl]oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2Cl)o1
InChIInChI=1S/C21H18ClNO7S/c1-23(14-6-4-3-5-7-14)31(26,27)16-9-10-18(22)17(12-16)20(24)29-13-15-8-11-19(30-15)21(25)28-2/h3-12H,13H2,1-2H3
InChIKeyRVMUTMCDMVBLIG-UHFFFAOYSA-N
XLogP3.90
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.90
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 5-[[2-chloro-5-[methyl(phenyl)sulfamoyl]benzoyl]oxymethyl]furan-2-carboxylate with MolForge

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Related Compounds

methyl 4-[[[2-chloro-5-[methyl(phenyl)sulfamoyl]benzoyl]amino]methyl]benzoate
CID 2334810
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-chloro-5-[methyl(phenyl)sulfamoyl]benzoate
CID 2577371
methyl 5-[[4-[ethyl(phenyl)sulfamoyl]benzoyl]oxymethyl]furan-2-carboxylate
CID 2587918
methyl 2-methyl-5-[methyl(phenyl)sulfamoyl]benzoate
CID 95970846
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-chloro-5-[methyl(phenyl)sulfamoyl]benzoate
CID 2577281
methyl 5-[[2-(4-chloro-3-nitrobenzoyl)benzoyl]oxymethyl]furan-2-carboxylate
CID 2616792
[2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl] 2-chloro-5-[methyl(phenyl)sulfamoyl]benzoate
CID 23879687
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-chloro-5-[methyl(phenyl)sulfamoyl]benzoate
CID 5139327
methyl 5-[(5-chloro-2-hydroxybenzoyl)oxymethyl]furan-2-carboxylate
CID 2602831
methyl 5-[[3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzoyl]oxymethyl]furan-2-carboxylate
CID 35836079
(5-methoxycarbonylfuran-2-yl)methyl 2-oxochromene-3-carboxylate
CID 8707757
2-chloro-5-[methyl(phenyl)sulfamoyl]-N,N-di(propan-2-yl)benzamide
CID 78843267

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-chloro-5-[methyl(phenyl)sulfamoyl]benzoyl]oxymethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[2-chloro-5-[methyl(phenyl)sulfamoyl]benzoyl]oxymethyl]furan-2-carboxylate (CID 2577257) is methyl 5-[[2-chloro-5-[methyl(phenyl)sulfamoyl]benzoyl]oxymethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[2-chloro-5-[methyl(phenyl)sulfamoyl]benzoyl]oxymethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[2-chloro-5-[methyl(phenyl)sulfamoyl]benzoyl]oxymethyl]furan-2-carboxylate is COC(=O)c1ccc(COC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2Cl)o1.
What is the InChIKey of methyl 5-[[2-chloro-5-[methyl(phenyl)sulfamoyl]benzoyl]oxymethyl]furan-2-carboxylate?
The InChIKey is RVMUTMCDMVBLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO7S/c1-23(14-6-4-3-5-7-14)31(26,27)16-9-10-18(22)17(12-16)20(24)29-13-15-8-11-19(30-15)21(25)28-2/h3-12H,13H2,1-2H3.
What are the key properties of methyl 5-[[2-chloro-5-[methyl(phenyl)sulfamoyl]benzoyl]oxymethyl]furan-2-carboxylate?
methyl 5-[[2-chloro-5-[methyl(phenyl)sulfamoyl]benzoyl]oxymethyl]furan-2-carboxylate has a molecular weight of 463.90 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-chloro-5-[methyl(phenyl)sulfamoyl]benzoyl]oxymethyl]furan-2-carboxylate is sourced from PubChem (CID 2577257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).