5-formyl-N-(3-methylsulfinylbutyl)furan-2-sulfonamide

C10H15NO5S2 — CID 113490916

IUPAC5-formyl-N-(3-methylsulfinylbutyl)furan-2-sulfonamide
SMILESCC(CCNS(=O)(=O)c1ccc(C=O)o1)S(C)=O
InChIInChI=1S/C10H15NO5S2/c1-8(17(2)13)5-6-11-18(14,15)10-4-3-9(7-12)16-10/h3-4,7-8,11H,5-6H2,1-2H3
InChIKeyPMUIKLZBJZBNRB-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.53
Rot. Bonds7

About 5-formyl-N-(3-methylsulfinylbutyl)furan-2-sulfonamide

5-formyl-N-(3-methylsulfinylbutyl)furan-2-sulfonamide (PubChem CID 113490916) has the molecular formula C10H15NO5S2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-formyl-N-(3-methylsulfinylbutyl)furan-2-sulfonamide.

Molecular Properties

Compound Name5-formyl-N-(3-methylsulfinylbutyl)furan-2-sulfonamide
PubChem CID113490916
Molecular FormulaC10H15NO5S2
Molecular Weight293.37 g/mol
Exact Mass293.04
IUPAC Name5-formyl-N-(3-methylsulfinylbutyl)furan-2-sulfonamide
SMILESCC(CCNS(=O)(=O)c1ccc(C=O)o1)S(C)=O
InChIInChI=1S/C10H15NO5S2/c1-8(17(2)13)5-6-11-18(14,15)10-4-3-9(7-12)16-10/h3-4,7-8,11H,5-6H2,1-2H3
InChIKeyPMUIKLZBJZBNRB-UHFFFAOYSA-N
XLogP0.53
TPSA93.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-formyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-2-sulfonamide
CID 106433441
5-formyl-N-(2,2,3,3-tetrafluoropropyl)furan-2-sulfonamide
CID 106295742
5-formyl-N-[3-(2-hydroxyethoxy)propyl]furan-2-sulfonamide
CID 114172010
2,4-dibromo-N-(3-methylsulfinylbutyl)benzenesulfonamide
CID 115710348
N-[(1-ethylcyclobutyl)methyl]-5-formylfuran-2-sulfonamide
CID 114109779
5-formyl-N-pent-1-yn-3-ylfuran-2-sulfonamide
CID 106233006
2-methyl-N-(3-methylsulfinylbutyl)-1H-imidazole-5-sulfonamide
CID 115897720
5-formyl-N-[(3-hydroxycyclopentyl)methyl]furan-2-sulfonamide
CID 114148606
3-amino-5-fluoro-4-methoxy-N-(3-methylsulfinylbutyl)benzenesulfonamide
CID 114626195
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-formylfuran-2-sulfonamide
CID 106304253
5-formyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]furan-2-sulfonamide
CID 103968565
3,5-dimethyl-N-(3-methylsulfinylbutyl)-1H-pyrazole-4-sulfonamide
CID 115901976

Frequently Asked Questions

What is the IUPAC name of 5-formyl-N-(3-methylsulfinylbutyl)furan-2-sulfonamide?
The IUPAC name of 5-formyl-N-(3-methylsulfinylbutyl)furan-2-sulfonamide (CID 113490916) is 5-formyl-N-(3-methylsulfinylbutyl)furan-2-sulfonamide.
What is the SMILES notation for 5-formyl-N-(3-methylsulfinylbutyl)furan-2-sulfonamide?
The canonical SMILES for 5-formyl-N-(3-methylsulfinylbutyl)furan-2-sulfonamide is CC(CCNS(=O)(=O)c1ccc(C=O)o1)S(C)=O.
What is the InChIKey of 5-formyl-N-(3-methylsulfinylbutyl)furan-2-sulfonamide?
The InChIKey is PMUIKLZBJZBNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5S2/c1-8(17(2)13)5-6-11-18(14,15)10-4-3-9(7-12)16-10/h3-4,7-8,11H,5-6H2,1-2H3.
What are the key properties of 5-formyl-N-(3-methylsulfinylbutyl)furan-2-sulfonamide?
5-formyl-N-(3-methylsulfinylbutyl)furan-2-sulfonamide has a molecular weight of 293.37 g/mol, XLogP of 0.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyl-N-(3-methylsulfinylbutyl)furan-2-sulfonamide is sourced from PubChem (CID 113490916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).