N-(4-hydroxy-2-methylphenyl)-5-(methylsulfamoyl)furan-2-carboxamide

C13H14N2O5S — CID 84577321

IUPACN-(4-hydroxy-2-methylphenyl)-5-(methylsulfamoyl)furan-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(O)cc2C)o1
InChIInChI=1S/C13H14N2O5S/c1-8-7-9(16)3-4-10(8)15-13(17)11-5-6-12(20-11)21(18,19)14-2/h3-7,14,16H,1-2H3,(H,15,17)
InChIKeyMMDWNJSCLPRFPA-UHFFFAOYSA-N
MW310.33 g/mol
LogP1.45
Rot. Bonds4

About N-(4-hydroxy-2-methylphenyl)-5-(methylsulfamoyl)furan-2-carboxamide

N-(4-hydroxy-2-methylphenyl)-5-(methylsulfamoyl)furan-2-carboxamide (PubChem CID 84577321) has the molecular formula C13H14N2O5S and a molecular weight of 310.33 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylphenyl)-5-(methylsulfamoyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylphenyl)-5-(methylsulfamoyl)furan-2-carboxamide
PubChem CID84577321
Molecular FormulaC13H14N2O5S
Molecular Weight310.33 g/mol
Exact Mass310.06
IUPAC NameN-(4-hydroxy-2-methylphenyl)-5-(methylsulfamoyl)furan-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(O)cc2C)o1
InChIInChI=1S/C13H14N2O5S/c1-8-7-9(16)3-4-10(8)15-13(17)11-5-6-12(20-11)21(18,19)14-2/h3-7,14,16H,1-2H3,(H,15,17)
InChIKeyMMDWNJSCLPRFPA-UHFFFAOYSA-N
XLogP1.45
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-methylpropanoylamino)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 46430489
N-(2-methyl-1H-indol-7-yl)-5-(methylsulfamoyl)furan-2-carboxamide
CID 112526760
methyl 2-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]-5-morpholin-4-ylbenzoate
CID 56523449
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 112521234
5-acetamido-N-(4-chloro-2-methylphenyl)furan-2-carboxamide
CID 110699924
2,4-dichloro-N-(4-hydroxy-2-methylphenyl)benzamide
CID 849254
N-[3,5-bis(trifluoromethyl)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 38739100
6-bromo-N-(4-hydroxy-2-methylphenyl)-1-benzofuran-2-carboxamide
CID 84576525
N-(2-bromo-4-methylphenyl)-5-(tert-butylsulfamoyl)furan-2-carboxamide
CID 38703983
N-[3-(dimethylamino)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 84577331
N-[2-(ethylamino)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 119509422
N-[2-(dimethylamino)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 110476323

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylphenyl)-5-(methylsulfamoyl)furan-2-carboxamide?
The IUPAC name of N-(4-hydroxy-2-methylphenyl)-5-(methylsulfamoyl)furan-2-carboxamide (CID 84577321) is N-(4-hydroxy-2-methylphenyl)-5-(methylsulfamoyl)furan-2-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2-methylphenyl)-5-(methylsulfamoyl)furan-2-carboxamide?
The canonical SMILES for N-(4-hydroxy-2-methylphenyl)-5-(methylsulfamoyl)furan-2-carboxamide is CNS(=O)(=O)c1ccc(C(=O)Nc2ccc(O)cc2C)o1.
What is the InChIKey of N-(4-hydroxy-2-methylphenyl)-5-(methylsulfamoyl)furan-2-carboxamide?
The InChIKey is MMDWNJSCLPRFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5S/c1-8-7-9(16)3-4-10(8)15-13(17)11-5-6-12(20-11)21(18,19)14-2/h3-7,14,16H,1-2H3,(H,15,17).
What are the key properties of N-(4-hydroxy-2-methylphenyl)-5-(methylsulfamoyl)furan-2-carboxamide?
N-(4-hydroxy-2-methylphenyl)-5-(methylsulfamoyl)furan-2-carboxamide has a molecular weight of 310.33 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylphenyl)-5-(methylsulfamoyl)furan-2-carboxamide is sourced from PubChem (CID 84577321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).