dimethyl 2-[[3-(furan-2-carbonylamino)phenyl]sulfamoyl]benzene-1,4-dicarboxylate

C21H18N2O8S — CID 24621973

IUPACdimethyl 2-[[3-(furan-2-carbonylamino)phenyl]sulfamoyl]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2cccc(NC(=O)c3ccco3)c2)c1
InChIInChI=1S/C21H18N2O8S/c1-29-20(25)13-8-9-16(21(26)30-2)18(11-13)32(27,28)23-15-6-3-5-14(12-15)22-19(24)17-7-4-10-31-17/h3-12,23H,1-2H3,(H,22,24)
InChIKeyBSNJVJCWZSDTOT-UHFFFAOYSA-N
MW458.45 g/mol
LogP2.91
Rot. Bonds7

About dimethyl 2-[[3-(furan-2-carbonylamino)phenyl]sulfamoyl]benzene-1,4-dicarboxylate

dimethyl 2-[[3-(furan-2-carbonylamino)phenyl]sulfamoyl]benzene-1,4-dicarboxylate (PubChem CID 24621973) has the molecular formula C21H18N2O8S and a molecular weight of 458.45 g/mol. Its IUPAC name is dimethyl 2-[[3-(furan-2-carbonylamino)phenyl]sulfamoyl]benzene-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-[[3-(furan-2-carbonylamino)phenyl]sulfamoyl]benzene-1,4-dicarboxylate
PubChem CID24621973
Molecular FormulaC21H18N2O8S
Molecular Weight458.45 g/mol
Exact Mass458.08
IUPAC Namedimethyl 2-[[3-(furan-2-carbonylamino)phenyl]sulfamoyl]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2cccc(NC(=O)c3ccco3)c2)c1
InChIInChI=1S/C21H18N2O8S/c1-29-20(25)13-8-9-16(21(26)30-2)18(11-13)32(27,28)23-15-6-3-5-14(12-15)22-19(24)17-7-4-10-31-17/h3-12,23H,1-2H3,(H,22,24)
InChIKeyBSNJVJCWZSDTOT-UHFFFAOYSA-N
XLogP2.91
TPSA141.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.45
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 3-[[3-(furan-2-carbonylamino)phenyl]sulfamoyl]-4-methylbenzoate
CID 25335107
dimethyl 2-[(3,4-dimethylphenyl)sulfamoyl]benzene-1,4-dicarboxylate
CID 26952290
dimethyl 5-(furan-2-carbonylamino)benzene-1,3-dicarboxylate
CID 711226
methyl 3-(furan-2-carbonylcarbamoylamino)benzoate
CID 2806361
N-[3-[(4-sulfamoylphenyl)sulfonylamino]phenyl]furan-2-carboxamide
CID 18206661
dimethyl 2-[(3-iodo-4-methylphenyl)sulfamoyl]benzene-1,4-dicarboxylate
CID 26950536
N-[4-chloro-3-[(4-methoxyphenyl)sulfamoyl]phenyl]furan-2-carboxamide
CID 3995207
dimethyl 2-[(3-pyrazin-2-yloxyphenyl)sulfamoyl]benzene-1,4-dicarboxylate
CID 31912381
N-[3-(2-chloroethylsulfonylamino)phenyl]furan-2-carboxamide
CID 107650719
N-[3-[(3-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 27244358
dimethyl 2-[[4-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]benzene-1,4-dicarboxylate
CID 24580786
methyl 3-amino-4-(furan-2-carbonylamino)benzoate
CID 110481051

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[[3-(furan-2-carbonylamino)phenyl]sulfamoyl]benzene-1,4-dicarboxylate?
The IUPAC name of dimethyl 2-[[3-(furan-2-carbonylamino)phenyl]sulfamoyl]benzene-1,4-dicarboxylate (CID 24621973) is dimethyl 2-[[3-(furan-2-carbonylamino)phenyl]sulfamoyl]benzene-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-[[3-(furan-2-carbonylamino)phenyl]sulfamoyl]benzene-1,4-dicarboxylate?
The canonical SMILES for dimethyl 2-[[3-(furan-2-carbonylamino)phenyl]sulfamoyl]benzene-1,4-dicarboxylate is COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2cccc(NC(=O)c3ccco3)c2)c1.
What is the InChIKey of dimethyl 2-[[3-(furan-2-carbonylamino)phenyl]sulfamoyl]benzene-1,4-dicarboxylate?
The InChIKey is BSNJVJCWZSDTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O8S/c1-29-20(25)13-8-9-16(21(26)30-2)18(11-13)32(27,28)23-15-6-3-5-14(12-15)22-19(24)17-7-4-10-31-17/h3-12,23H,1-2H3,(H,22,24).
What are the key properties of dimethyl 2-[[3-(furan-2-carbonylamino)phenyl]sulfamoyl]benzene-1,4-dicarboxylate?
dimethyl 2-[[3-(furan-2-carbonylamino)phenyl]sulfamoyl]benzene-1,4-dicarboxylate has a molecular weight of 458.45 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[[3-(furan-2-carbonylamino)phenyl]sulfamoyl]benzene-1,4-dicarboxylate is sourced from PubChem (CID 24621973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).