5-formyl-N-methyl-N-(2-methyloxolan-3-yl)furan-2-sulfonamide

C11H15NO5S — CID 82744699

IUPAC5-formyl-N-methyl-N-(2-methyloxolan-3-yl)furan-2-sulfonamide
SMILESCC1OCCC1N(C)S(=O)(=O)c1ccc(C=O)o1
InChIInChI=1S/C11H15NO5S/c1-8-10(5-6-16-8)12(2)18(14,15)11-4-3-9(7-13)17-11/h3-4,7-8,10H,5-6H2,1-2H3
InChIKeyOZVVPLLOHNSJOA-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.89
Rot. Bonds4

About 5-formyl-N-methyl-N-(2-methyloxolan-3-yl)furan-2-sulfonamide

5-formyl-N-methyl-N-(2-methyloxolan-3-yl)furan-2-sulfonamide (PubChem CID 82744699) has the molecular formula C11H15NO5S and a molecular weight of 273.31 g/mol. Its IUPAC name is 5-formyl-N-methyl-N-(2-methyloxolan-3-yl)furan-2-sulfonamide.

Molecular Properties

Compound Name5-formyl-N-methyl-N-(2-methyloxolan-3-yl)furan-2-sulfonamide
PubChem CID82744699
Molecular FormulaC11H15NO5S
Molecular Weight273.31 g/mol
Exact Mass273.07
IUPAC Name5-formyl-N-methyl-N-(2-methyloxolan-3-yl)furan-2-sulfonamide
SMILESCC1OCCC1N(C)S(=O)(=O)c1ccc(C=O)o1
InChIInChI=1S/C11H15NO5S/c1-8-10(5-6-16-8)12(2)18(14,15)11-4-3-9(7-13)17-11/h3-4,7-8,10H,5-6H2,1-2H3
InChIKeyOZVVPLLOHNSJOA-UHFFFAOYSA-N
XLogP0.89
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-methyl-4-N-(2-methyloxolan-3-yl)benzene-1,4-disulfonamide
CID 82729852
2-chloro-N-methyl-N-(2-methyloxolan-3-yl)pyridine-3-sulfonamide
CID 82734442
2-(aminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82735715
5-(chloromethyl)-N-methyl-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide
CID 82745504
2-amino-6-chloro-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82741144
4-(ethylaminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82729543
2-hydrazinyl-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82740399
2-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82745252
6-amino-N,2,3-trimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82740652
4-chloro-N-methyl-N-(2-methyloxolan-3-yl)-3-nitrobenzenesulfonamide
CID 82736615
4-(chloromethyl)-2-methoxy-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 102704270
3-(aminomethyl)-5-chloro-N,2-dimethyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82879991

Frequently Asked Questions

What is the IUPAC name of 5-formyl-N-methyl-N-(2-methyloxolan-3-yl)furan-2-sulfonamide?
The IUPAC name of 5-formyl-N-methyl-N-(2-methyloxolan-3-yl)furan-2-sulfonamide (CID 82744699) is 5-formyl-N-methyl-N-(2-methyloxolan-3-yl)furan-2-sulfonamide.
What is the SMILES notation for 5-formyl-N-methyl-N-(2-methyloxolan-3-yl)furan-2-sulfonamide?
The canonical SMILES for 5-formyl-N-methyl-N-(2-methyloxolan-3-yl)furan-2-sulfonamide is CC1OCCC1N(C)S(=O)(=O)c1ccc(C=O)o1.
What is the InChIKey of 5-formyl-N-methyl-N-(2-methyloxolan-3-yl)furan-2-sulfonamide?
The InChIKey is OZVVPLLOHNSJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S/c1-8-10(5-6-16-8)12(2)18(14,15)11-4-3-9(7-13)17-11/h3-4,7-8,10H,5-6H2,1-2H3.
What are the key properties of 5-formyl-N-methyl-N-(2-methyloxolan-3-yl)furan-2-sulfonamide?
5-formyl-N-methyl-N-(2-methyloxolan-3-yl)furan-2-sulfonamide has a molecular weight of 273.31 g/mol, XLogP of 0.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyl-N-methyl-N-(2-methyloxolan-3-yl)furan-2-sulfonamide is sourced from PubChem (CID 82744699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).