5-methyl-4-[(3-methyl-4-pyridinyl)methylsulfamoyl]furan-2-carboxylic acid

C13H14N2O5S — CID 114698518

IUPAC5-methyl-4-[(3-methyl-4-pyridinyl)methylsulfamoyl]furan-2-carboxylic acid
SMILESCc1cnccc1CNS(=O)(=O)c1cc(C(=O)O)oc1C
InChIInChI=1S/C13H14N2O5S/c1-8-6-14-4-3-10(8)7-15-21(18,19)12-5-11(13(16)17)20-9(12)2/h3-6,15H,7H2,1-2H3,(H,16,17)
InChIKeyXSJMTTXUHDVJQB-UHFFFAOYSA-N
MW310.33 g/mol
LogP1.47
Rot. Bonds5

About 5-methyl-4-[(3-methyl-4-pyridinyl)methylsulfamoyl]furan-2-carboxylic acid

5-methyl-4-[(3-methyl-4-pyridinyl)methylsulfamoyl]furan-2-carboxylic acid (PubChem CID 114698518) has the molecular formula C13H14N2O5S and a molecular weight of 310.33 g/mol. Its IUPAC name is 5-methyl-4-[(3-methyl-4-pyridinyl)methylsulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-[(3-methyl-4-pyridinyl)methylsulfamoyl]furan-2-carboxylic acid
PubChem CID114698518
Molecular FormulaC13H14N2O5S
Molecular Weight310.33 g/mol
Exact Mass310.06
IUPAC Name5-methyl-4-[(3-methyl-4-pyridinyl)methylsulfamoyl]furan-2-carboxylic acid
SMILESCc1cnccc1CNS(=O)(=O)c1cc(C(=O)O)oc1C
InChIInChI=1S/C13H14N2O5S/c1-8-6-14-4-3-10(8)7-15-21(18,19)12-5-11(13(16)17)20-9(12)2/h3-6,15H,7H2,1-2H3,(H,16,17)
InChIKeyXSJMTTXUHDVJQB-UHFFFAOYSA-N
XLogP1.47
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-4-(pyridin-4-ylmethylsulfamoyl)furan-2-carboxylic acid
CID 62804132
5-methyl-4-[(4-methylphenyl)methylsulfamoyl]furan-2-carboxylic acid
CID 62803246
4-[(2-bromophenyl)methylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62805041
5-methyl-4-(2-pyridin-3-ylethylsulfamoyl)furan-2-carboxylic acid
CID 62804149
4-[(4-chloro-2-pyridinyl)methylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 139003545
3-methyl-5-[(3-methyl-4-pyridinyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 114698528
3-[(3-methyl-4-pyridinyl)methylsulfamoyl]benzoic acid
CID 114698508
5-methyl-4-(thiophen-2-ylmethylsulfamoyl)furan-2-carboxylic acid
CID 62803440
4-[(3-bromophenyl)methylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62804872
4-amino-2-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114698284
5-methyl-4-(2-methylsulfanylethylsulfamoyl)furan-2-carboxylic acid
CID 62804483
5-methyl-4-[(3-methyl-4-pyridinyl)methylsulfamoyl]-1H-pyrazole-3-carboxylic acid
CID 114698510

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(3-methyl-4-pyridinyl)methylsulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-methyl-4-[(3-methyl-4-pyridinyl)methylsulfamoyl]furan-2-carboxylic acid (CID 114698518) is 5-methyl-4-[(3-methyl-4-pyridinyl)methylsulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-[(3-methyl-4-pyridinyl)methylsulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-[(3-methyl-4-pyridinyl)methylsulfamoyl]furan-2-carboxylic acid is Cc1cnccc1CNS(=O)(=O)c1cc(C(=O)O)oc1C.
What is the InChIKey of 5-methyl-4-[(3-methyl-4-pyridinyl)methylsulfamoyl]furan-2-carboxylic acid?
The InChIKey is XSJMTTXUHDVJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5S/c1-8-6-14-4-3-10(8)7-15-21(18,19)12-5-11(13(16)17)20-9(12)2/h3-6,15H,7H2,1-2H3,(H,16,17).
What are the key properties of 5-methyl-4-[(3-methyl-4-pyridinyl)methylsulfamoyl]furan-2-carboxylic acid?
5-methyl-4-[(3-methyl-4-pyridinyl)methylsulfamoyl]furan-2-carboxylic acid has a molecular weight of 310.33 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(3-methyl-4-pyridinyl)methylsulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 114698518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).