4-[(3-cyano-4-methoxycarbonyl-5-methylfuran-2-yl)sulfamoyl]benzoic acid

C15H12N2O7S — CID 108781671

IUPAC4-[(3-cyano-4-methoxycarbonyl-5-methylfuran-2-yl)sulfamoyl]benzoic acid
SMILESCOC(=O)c1c(C)oc(NS(=O)(=O)c2ccc(C(=O)O)cc2)c1C#N
InChIInChI=1S/C15H12N2O7S/c1-8-12(15(20)23-2)11(7-16)13(24-8)17-25(21,22)10-5-3-9(4-6-10)14(18)19/h3-6,17H,1-2H3,(H,18,19)
InChIKeyUMFYTVACWAHJIY-UHFFFAOYSA-N
MW364.34 g/mol
LogP1.75
Rot. Bonds5

About 4-[(3-cyano-4-methoxycarbonyl-5-methylfuran-2-yl)sulfamoyl]benzoic acid

4-[(3-cyano-4-methoxycarbonyl-5-methylfuran-2-yl)sulfamoyl]benzoic acid (PubChem CID 108781671) has the molecular formula C15H12N2O7S and a molecular weight of 364.34 g/mol. Its IUPAC name is 4-[(3-cyano-4-methoxycarbonyl-5-methylfuran-2-yl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-[(3-cyano-4-methoxycarbonyl-5-methylfuran-2-yl)sulfamoyl]benzoic acid
PubChem CID108781671
Molecular FormulaC15H12N2O7S
Molecular Weight364.34 g/mol
Exact Mass364.04
IUPAC Name4-[(3-cyano-4-methoxycarbonyl-5-methylfuran-2-yl)sulfamoyl]benzoic acid
SMILESCOC(=O)c1c(C)oc(NS(=O)(=O)c2ccc(C(=O)O)cc2)c1C#N
InChIInChI=1S/C15H12N2O7S/c1-8-12(15(20)23-2)11(7-16)13(24-8)17-25(21,22)10-5-3-9(4-6-10)14(18)19/h3-6,17H,1-2H3,(H,18,19)
InChIKeyUMFYTVACWAHJIY-UHFFFAOYSA-N
XLogP1.75
TPSA146.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[(3-cyano-4-methoxycarbonyl-5-methylfuran-2-yl)sulfamoyl]benzoic acid with MolForge

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Related Compounds

methyl 5-[(4-acetamidophenyl)sulfonylamino]-4-cyano-2-methylfuran-3-carboxylate
CID 108781661
methyl 4-cyano-5-[(2,4-dimethylphenyl)sulfonylamino]-2-methylfuran-3-carboxylate
CID 108781678
methyl 4-cyano-5-[[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]sulfonylamino]-2-methylfuran-3-carboxylate
CID 108781667
methyl 5-acetamido-4-cyano-2-methylfuran-3-carboxylate
CID 108733946
methyl 4-cyano-2-methyl-5-[(6-methylpyridazin-3-yl)amino]furan-3-carboxylate
CID 108774291
methyl 4-cyano-2-methyl-5-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]furan-3-carboxylate
CID 108733987
methyl 4-cyano-2-methyl-5-(pyridine-3-carbonylamino)furan-3-carboxylate
CID 108757223
methyl 4-cyano-5-[(2-fluorobenzoyl)amino]-2-methylfuran-3-carboxylate
CID 108757235
methyl 5-(2-chloropropanoylamino)-4-cyano-2-methylfuran-3-carboxylate
CID 108733953
methyl 4-cyano-2-methyl-5-(4-phenoxybutanoylamino)furan-3-carboxylate
CID 108757360
methyl 4-cyano-2-methyl-5-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]furan-3-carboxylate
CID 108757311
N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 108782793

Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyano-4-methoxycarbonyl-5-methylfuran-2-yl)sulfamoyl]benzoic acid?
The IUPAC name of 4-[(3-cyano-4-methoxycarbonyl-5-methylfuran-2-yl)sulfamoyl]benzoic acid (CID 108781671) is 4-[(3-cyano-4-methoxycarbonyl-5-methylfuran-2-yl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-[(3-cyano-4-methoxycarbonyl-5-methylfuran-2-yl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-[(3-cyano-4-methoxycarbonyl-5-methylfuran-2-yl)sulfamoyl]benzoic acid is COC(=O)c1c(C)oc(NS(=O)(=O)c2ccc(C(=O)O)cc2)c1C#N.
What is the InChIKey of 4-[(3-cyano-4-methoxycarbonyl-5-methylfuran-2-yl)sulfamoyl]benzoic acid?
The InChIKey is UMFYTVACWAHJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O7S/c1-8-12(15(20)23-2)11(7-16)13(24-8)17-25(21,22)10-5-3-9(4-6-10)14(18)19/h3-6,17H,1-2H3,(H,18,19).
What are the key properties of 4-[(3-cyano-4-methoxycarbonyl-5-methylfuran-2-yl)sulfamoyl]benzoic acid?
4-[(3-cyano-4-methoxycarbonyl-5-methylfuran-2-yl)sulfamoyl]benzoic acid has a molecular weight of 364.34 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyano-4-methoxycarbonyl-5-methylfuran-2-yl)sulfamoyl]benzoic acid is sourced from PubChem (CID 108781671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).