methyl 2-[[3-(tert-butylsulfamoyl)-4-chlorobenzoyl]oxymethyl]furan-3-carboxylate

C18H20ClNO7S — CID 31120967

IUPACmethyl 2-[[3-(tert-butylsulfamoyl)-4-chlorobenzoyl]oxymethyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1COC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1
InChIInChI=1S/C18H20ClNO7S/c1-18(2,3)20-28(23,24)15-9-11(5-6-13(15)19)16(21)27-10-14-12(7-8-26-14)17(22)25-4/h5-9,20H,10H2,1-4H3
InChIKeyHQLIGJXBFGBKQZ-UHFFFAOYSA-N
MW429.88 g/mol
LogP3.15
Rot. Bonds6

About methyl 2-[[3-(tert-butylsulfamoyl)-4-chlorobenzoyl]oxymethyl]furan-3-carboxylate

methyl 2-[[3-(tert-butylsulfamoyl)-4-chlorobenzoyl]oxymethyl]furan-3-carboxylate (PubChem CID 31120967) has the molecular formula C18H20ClNO7S and a molecular weight of 429.88 g/mol. Its IUPAC name is methyl 2-[[3-(tert-butylsulfamoyl)-4-chlorobenzoyl]oxymethyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[3-(tert-butylsulfamoyl)-4-chlorobenzoyl]oxymethyl]furan-3-carboxylate
PubChem CID31120967
Molecular FormulaC18H20ClNO7S
Molecular Weight429.88 g/mol
Exact Mass429.06
IUPAC Namemethyl 2-[[3-(tert-butylsulfamoyl)-4-chlorobenzoyl]oxymethyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1COC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1
InChIInChI=1S/C18H20ClNO7S/c1-18(2,3)20-28(23,24)15-9-11(5-6-13(15)19)16(21)27-10-14-12(7-8-26-14)17(22)25-4/h5-9,20H,10H2,1-4H3
InChIKeyHQLIGJXBFGBKQZ-UHFFFAOYSA-N
XLogP3.15
TPSA111.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.88
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[3-(tert-butylsulfamoyl)-4-chlorobenzoyl]oxymethyl]furan-3-carboxylate with MolForge

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Related Compounds

methyl 2-[[3-(methoxymethyl)benzoyl]oxymethyl]furan-3-carboxylate
CID 55517459
methyl 3-[[3-(tert-butylsulfamoyl)-4-chlorobenzoyl]amino]benzoate
CID 2529890
[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 3-(tert-butylsulfamoyl)-4-chlorobenzoate
CID 55356698
[(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 3-(tert-butylsulfamoyl)-4-chlorobenzoate
CID 30977305
cyanomethyl 4-chloro-3-(methylsulfamoyl)benzoate
CID 9331722
3-(tert-butylsulfamoyl)-4-chloro-N-propylbenzamide
CID 34827308
methyl 2-[[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate
CID 55516949
[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-(tert-butylsulfamoyl)-4-chlorobenzoate
CID 42979612
ethyl 2-[[3-(tert-butylsulfamoyl)-4-chlorobenzoyl]-(2-methoxyethyl)amino]acetate
CID 55726615
methyl 4-chloro-3-chlorosulfonylbenzoate
CID 18071846
[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-(tert-butylsulfamoyl)-4-chlorobenzoate
CID 46791269
N-tert-butyl-2-chloro-5-[(2,4,6-trichloroanilino)carbamoyl]benzenesulfonamide
CID 30255802

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(tert-butylsulfamoyl)-4-chlorobenzoyl]oxymethyl]furan-3-carboxylate?
The IUPAC name of methyl 2-[[3-(tert-butylsulfamoyl)-4-chlorobenzoyl]oxymethyl]furan-3-carboxylate (CID 31120967) is methyl 2-[[3-(tert-butylsulfamoyl)-4-chlorobenzoyl]oxymethyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-[[3-(tert-butylsulfamoyl)-4-chlorobenzoyl]oxymethyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-[[3-(tert-butylsulfamoyl)-4-chlorobenzoyl]oxymethyl]furan-3-carboxylate is COC(=O)c1ccoc1COC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1.
What is the InChIKey of methyl 2-[[3-(tert-butylsulfamoyl)-4-chlorobenzoyl]oxymethyl]furan-3-carboxylate?
The InChIKey is HQLIGJXBFGBKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO7S/c1-18(2,3)20-28(23,24)15-9-11(5-6-13(15)19)16(21)27-10-14-12(7-8-26-14)17(22)25-4/h5-9,20H,10H2,1-4H3.
What are the key properties of methyl 2-[[3-(tert-butylsulfamoyl)-4-chlorobenzoyl]oxymethyl]furan-3-carboxylate?
methyl 2-[[3-(tert-butylsulfamoyl)-4-chlorobenzoyl]oxymethyl]furan-3-carboxylate has a molecular weight of 429.88 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(tert-butylsulfamoyl)-4-chlorobenzoyl]oxymethyl]furan-3-carboxylate is sourced from PubChem (CID 31120967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).