4-[(1,1-dioxothiolan-3-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid

C10H13NO7S2 — CID 62803428

IUPAC4-[(1,1-dioxothiolan-3-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C10H13NO7S2/c1-6-9(4-8(18-6)10(12)13)20(16,17)11-7-2-3-19(14,15)5-7/h4,7,11H,2-3,5H2,1H3,(H,12,13)
InChIKeyFDIIEZJBNSFDIU-UHFFFAOYSA-N
MW323.35 g/mol
LogP-0.25
Rot. Bonds4

About 4-[(1,1-dioxothiolan-3-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid

4-[(1,1-dioxothiolan-3-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid (PubChem CID 62803428) has the molecular formula C10H13NO7S2 and a molecular weight of 323.35 g/mol. Its IUPAC name is 4-[(1,1-dioxothiolan-3-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-[(1,1-dioxothiolan-3-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
PubChem CID62803428
Molecular FormulaC10H13NO7S2
Molecular Weight323.35 g/mol
Exact Mass323.01
IUPAC Name4-[(1,1-dioxothiolan-3-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C10H13NO7S2/c1-6-9(4-8(18-6)10(12)13)20(16,17)11-7-2-3-19(14,15)5-7/h4,7,11H,2-3,5H2,1H3,(H,12,13)
InChIKeyFDIIEZJBNSFDIU-UHFFFAOYSA-N
XLogP-0.25
TPSA130.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(1,1-dioxothiolan-3-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(cyclopropylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 62805751
4-[(3,3-dimethylcyclopentyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 114543702
4-[(3-methoxycyclopentyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 103091364
4-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 114503126
4-[(2,2-dimethylcyclopentyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 79861610
4-[(2-methoxycyclopentyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62805249
5-methyl-4-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 80714939
2-amino-N-(1,1-dioxothiolan-3-yl)-4-methylbenzenesulfonamide
CID 43258077
N-(1,1-dioxothiolan-3-yl)-2,4,6-trimethylbenzenesulfonamide
CID 45154252
4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzoic acid
CID 2858778
5-bromo-4-(cyclopropylsulfamoyl)furan-2-carboxylic acid
CID 62803276
N-(1,1-dioxothiolan-3-yl)-2,5-difluorobenzenesulfonamide
CID 110757609

Frequently Asked Questions

What is the IUPAC name of 4-[(1,1-dioxothiolan-3-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
The IUPAC name of 4-[(1,1-dioxothiolan-3-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid (CID 62803428) is 4-[(1,1-dioxothiolan-3-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid.
What is the SMILES notation for 4-[(1,1-dioxothiolan-3-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
The canonical SMILES for 4-[(1,1-dioxothiolan-3-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid is Cc1oc(C(=O)O)cc1S(=O)(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of 4-[(1,1-dioxothiolan-3-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
The InChIKey is FDIIEZJBNSFDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO7S2/c1-6-9(4-8(18-6)10(12)13)20(16,17)11-7-2-3-19(14,15)5-7/h4,7,11H,2-3,5H2,1H3,(H,12,13).
What are the key properties of 4-[(1,1-dioxothiolan-3-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
4-[(1,1-dioxothiolan-3-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid has a molecular weight of 323.35 g/mol, XLogP of -0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,1-dioxothiolan-3-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid is sourced from PubChem (CID 62803428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).