4-[2-hydroxypropyl(methyl)sulfamoyl]-5-methylfuran-2-carboxylic acid

C10H15NO6S — CID 62805254

IUPAC4-[2-hydroxypropyl(methyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)N(C)CC(C)O
InChIInChI=1S/C10H15NO6S/c1-6(12)5-11(3)18(15,16)9-4-8(10(13)14)17-7(9)2/h4,6,12H,5H2,1-3H3,(H,13,14)
InChIKeyKJWBIXKAGFODSW-UHFFFAOYSA-N
MW277.30 g/mol
LogP0.29
Rot. Bonds5

About 4-[2-hydroxypropyl(methyl)sulfamoyl]-5-methylfuran-2-carboxylic acid

4-[2-hydroxypropyl(methyl)sulfamoyl]-5-methylfuran-2-carboxylic acid (PubChem CID 62805254) has the molecular formula C10H15NO6S and a molecular weight of 277.30 g/mol. Its IUPAC name is 4-[2-hydroxypropyl(methyl)sulfamoyl]-5-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-hydroxypropyl(methyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
PubChem CID62805254
Molecular FormulaC10H15NO6S
Molecular Weight277.30 g/mol
Exact Mass277.06
IUPAC Name4-[2-hydroxypropyl(methyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)N(C)CC(C)O
InChIInChI=1S/C10H15NO6S/c1-6(12)5-11(3)18(15,16)9-4-8(10(13)14)17-7(9)2/h4,6,12H,5H2,1-3H3,(H,13,14)
InChIKeyKJWBIXKAGFODSW-UHFFFAOYSA-N
XLogP0.29
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-4-[methyl(propyl)sulfamoyl]furan-2-carboxylic acid
CID 62804138
4-[(2-ethoxy-2-oxoethyl)-methylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62805395
4-[ethyl(2-methylbutyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 79477863
4-[furan-3-ylmethyl(methyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62804879
5-methyl-4-[methyl-[(2S)-1-thiophen-2-ylpropan-2-yl]sulfamoyl]furan-2-carboxylic acid
CID 99775173
5-methyl-4-[methyl(oxan-4-yl)sulfamoyl]furan-2-carboxylic acid
CID 62803631
5-methyl-4-[methyl-(2-methylcyclohexyl)sulfamoyl]furan-2-carboxylic acid
CID 62805034
3-[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]butanoic acid
CID 119347905
5-methyl-4-(pentan-3-ylsulfamoyl)furan-2-carboxylic acid
CID 62803052
4-(4-hydroxybutan-2-ylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 83177359
2-fluoro-N-(2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide
CID 118740633
3-amino-4-[2-hydroxypropyl(methyl)sulfamoyl]benzoic acid
CID 81471129

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxypropyl(methyl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
The IUPAC name of 4-[2-hydroxypropyl(methyl)sulfamoyl]-5-methylfuran-2-carboxylic acid (CID 62805254) is 4-[2-hydroxypropyl(methyl)sulfamoyl]-5-methylfuran-2-carboxylic acid.
What is the SMILES notation for 4-[2-hydroxypropyl(methyl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
The canonical SMILES for 4-[2-hydroxypropyl(methyl)sulfamoyl]-5-methylfuran-2-carboxylic acid is Cc1oc(C(=O)O)cc1S(=O)(=O)N(C)CC(C)O.
What is the InChIKey of 4-[2-hydroxypropyl(methyl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
The InChIKey is KJWBIXKAGFODSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO6S/c1-6(12)5-11(3)18(15,16)9-4-8(10(13)14)17-7(9)2/h4,6,12H,5H2,1-3H3,(H,13,14).
What are the key properties of 4-[2-hydroxypropyl(methyl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
4-[2-hydroxypropyl(methyl)sulfamoyl]-5-methylfuran-2-carboxylic acid has a molecular weight of 277.30 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxypropyl(methyl)sulfamoyl]-5-methylfuran-2-carboxylic acid is sourced from PubChem (CID 62805254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).