5-methyl-4-(oxolan-3-ylsulfamoyl)furan-2-carboxylic acid

C10H13NO6S — CID 80717647

IUPAC5-methyl-4-(oxolan-3-ylsulfamoyl)furan-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)NC1CCOC1
InChIInChI=1S/C10H13NO6S/c1-6-9(4-8(17-6)10(12)13)18(14,15)11-7-2-3-16-5-7/h4,7,11H,2-3,5H2,1H3,(H,12,13)
InChIKeyDTCLGQHTZCPXHA-UHFFFAOYSA-N
MW275.28 g/mol
LogP0.35
Rot. Bonds4

About 5-methyl-4-(oxolan-3-ylsulfamoyl)furan-2-carboxylic acid

5-methyl-4-(oxolan-3-ylsulfamoyl)furan-2-carboxylic acid (PubChem CID 80717647) has the molecular formula C10H13NO6S and a molecular weight of 275.28 g/mol. Its IUPAC name is 5-methyl-4-(oxolan-3-ylsulfamoyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-(oxolan-3-ylsulfamoyl)furan-2-carboxylic acid
PubChem CID80717647
Molecular FormulaC10H13NO6S
Molecular Weight275.28 g/mol
Exact Mass275.05
IUPAC Name5-methyl-4-(oxolan-3-ylsulfamoyl)furan-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)NC1CCOC1
InChIInChI=1S/C10H13NO6S/c1-6-9(4-8(17-6)10(12)13)18(14,15)11-7-2-3-16-5-7/h4,7,11H,2-3,5H2,1H3,(H,12,13)
InChIKeyDTCLGQHTZCPXHA-UHFFFAOYSA-N
XLogP0.35
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(cyclopropylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 62805751
4-[(3-methoxycyclopentyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 103091364
4-[(3,3-dimethylcyclopentyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 114543702
4-[(1,1-dioxothiolan-3-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62803428
5-methyl-4-(oxolan-3-ylsulfamoyl)thiophene-2-carboxylic acid
CID 80716792
5-methyl-4-(oxan-3-ylmethylsulfamoyl)furan-2-carboxylic acid
CID 62804859
5-methyl-4-[(oxolan-3-ylamino)methyl]furan-2-carboxylic acid
CID 103258417
5-bromo-4-(cyclopropylsulfamoyl)furan-2-carboxylic acid
CID 62803276
4-[(2,2-dimethylcyclopentyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 79861610
2,4-dichloro-5-(oxolan-3-ylsulfamoyl)benzoic acid
CID 80716887
4-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 114503126
5-methyl-4-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 80714939

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(oxolan-3-ylsulfamoyl)furan-2-carboxylic acid?
The IUPAC name of 5-methyl-4-(oxolan-3-ylsulfamoyl)furan-2-carboxylic acid (CID 80717647) is 5-methyl-4-(oxolan-3-ylsulfamoyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-(oxolan-3-ylsulfamoyl)furan-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-(oxolan-3-ylsulfamoyl)furan-2-carboxylic acid is Cc1oc(C(=O)O)cc1S(=O)(=O)NC1CCOC1.
What is the InChIKey of 5-methyl-4-(oxolan-3-ylsulfamoyl)furan-2-carboxylic acid?
The InChIKey is DTCLGQHTZCPXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO6S/c1-6-9(4-8(17-6)10(12)13)18(14,15)11-7-2-3-16-5-7/h4,7,11H,2-3,5H2,1H3,(H,12,13).
What are the key properties of 5-methyl-4-(oxolan-3-ylsulfamoyl)furan-2-carboxylic acid?
5-methyl-4-(oxolan-3-ylsulfamoyl)furan-2-carboxylic acid has a molecular weight of 275.28 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(oxolan-3-ylsulfamoyl)furan-2-carboxylic acid is sourced from PubChem (CID 80717647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).