methyl 5-[(2-chloro-5-sulfamoylbenzoyl)oxymethyl]-2-methylfuran-3-carboxylate

C15H14ClNO7S — CID 7993888

IUPACmethyl 5-[(2-chloro-5-sulfamoylbenzoyl)oxymethyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(COC(=O)c2cc(S(N)(=O)=O)ccc2Cl)oc1C
InChIInChI=1S/C15H14ClNO7S/c1-8-11(14(18)22-2)5-9(24-8)7-23-15(19)12-6-10(25(17,20)21)3-4-13(12)16/h3-6H,7H2,1-2H3,(H2,17,20,21)
InChIKeyCQDWZUYZVBBQAF-UHFFFAOYSA-N
MW387.80 g/mol
LogP2.03
Rot. Bonds5

About methyl 5-[(2-chloro-5-sulfamoylbenzoyl)oxymethyl]-2-methylfuran-3-carboxylate

methyl 5-[(2-chloro-5-sulfamoylbenzoyl)oxymethyl]-2-methylfuran-3-carboxylate (PubChem CID 7993888) has the molecular formula C15H14ClNO7S and a molecular weight of 387.80 g/mol. Its IUPAC name is methyl 5-[(2-chloro-5-sulfamoylbenzoyl)oxymethyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2-chloro-5-sulfamoylbenzoyl)oxymethyl]-2-methylfuran-3-carboxylate
PubChem CID7993888
Molecular FormulaC15H14ClNO7S
Molecular Weight387.80 g/mol
Exact Mass387.02
IUPAC Namemethyl 5-[(2-chloro-5-sulfamoylbenzoyl)oxymethyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(COC(=O)c2cc(S(N)(=O)=O)ccc2Cl)oc1C
InChIInChI=1S/C15H14ClNO7S/c1-8-11(14(18)22-2)5-9(24-8)7-23-15(19)12-6-10(25(17,20)21)3-4-13(12)16/h3-6H,7H2,1-2H3,(H2,17,20,21)
InChIKeyCQDWZUYZVBBQAF-UHFFFAOYSA-N
XLogP2.03
TPSA125.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.80
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-[(2-chloro-5-nitrobenzoyl)oxymethyl]-2-methylfuran-3-carboxylate
CID 7813414
methyl 5-[(4-chlorobenzoyl)oxymethyl]-2-methylfuran-3-carboxylate
CID 2481052
methyl 5-[3-(4-chlorophenyl)sulfonylpropanoyloxymethyl]-2-methylfuran-3-carboxylate
CID 9491362
(2-methylphenyl)methyl 2-chloro-5-sulfamoylbenzoate
CID 7994023
methyl 5-[[4-(difluoromethylsulfonyl)benzoyl]oxymethyl]-2-methylfuran-3-carboxylate
CID 7679809
methyl 5-[(3-hydroxynaphthalene-2-carbonyl)oxymethyl]-2-methylfuran-3-carboxylate
CID 7812111
methyl 5-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]oxymethyl]-2-methylfuran-3-carboxylate
CID 7995690
(2,5-dimethylphenyl)methyl 2-chloro-5-sulfamoylbenzoate
CID 7994009
(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-oxochromene-3-carboxylate
CID 8707731
methyl 2-methyl-5-[[4-(trifluoromethoxy)benzoyl]oxymethyl]furan-3-carboxylate
CID 2097734
methyl 5-[[[2-chloro-5-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 55612422
methyl 5-(chlorosulfonylmethyl)-2-methylfuran-3-carboxylate
CID 62086161

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2-chloro-5-sulfamoylbenzoyl)oxymethyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[(2-chloro-5-sulfamoylbenzoyl)oxymethyl]-2-methylfuran-3-carboxylate (CID 7993888) is methyl 5-[(2-chloro-5-sulfamoylbenzoyl)oxymethyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[(2-chloro-5-sulfamoylbenzoyl)oxymethyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[(2-chloro-5-sulfamoylbenzoyl)oxymethyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(COC(=O)c2cc(S(N)(=O)=O)ccc2Cl)oc1C.
What is the InChIKey of methyl 5-[(2-chloro-5-sulfamoylbenzoyl)oxymethyl]-2-methylfuran-3-carboxylate?
The InChIKey is CQDWZUYZVBBQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO7S/c1-8-11(14(18)22-2)5-9(24-8)7-23-15(19)12-6-10(25(17,20)21)3-4-13(12)16/h3-6H,7H2,1-2H3,(H2,17,20,21).
What are the key properties of methyl 5-[(2-chloro-5-sulfamoylbenzoyl)oxymethyl]-2-methylfuran-3-carboxylate?
methyl 5-[(2-chloro-5-sulfamoylbenzoyl)oxymethyl]-2-methylfuran-3-carboxylate has a molecular weight of 387.80 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2-chloro-5-sulfamoylbenzoyl)oxymethyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 7993888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).