N-[(5-formylfuran-2-yl)methyl]ethanesulfonamide

C8H11NO4S — CID 44754696

IUPACN-[(5-formylfuran-2-yl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1ccc(C=O)o1
InChIInChI=1S/C8H11NO4S/c1-2-14(11,12)9-5-7-3-4-8(6-10)13-7/h3-4,6,9H,2,5H2,1H3
InChIKeyJXPCBLXJLWMBEW-UHFFFAOYSA-N
MW217.25 g/mol
LogP0.53
Rot. Bonds5

About N-[(5-formylfuran-2-yl)methyl]ethanesulfonamide

N-[(5-formylfuran-2-yl)methyl]ethanesulfonamide (PubChem CID 44754696) has the molecular formula C8H11NO4S and a molecular weight of 217.25 g/mol. Its IUPAC name is N-[(5-formylfuran-2-yl)methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(5-formylfuran-2-yl)methyl]ethanesulfonamide
PubChem CID44754696
Molecular FormulaC8H11NO4S
Molecular Weight217.25 g/mol
Exact Mass217.04
IUPAC NameN-[(5-formylfuran-2-yl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1ccc(C=O)o1
InChIInChI=1S/C8H11NO4S/c1-2-14(11,12)9-5-7-3-4-8(6-10)13-7/h3-4,6,9H,2,5H2,1H3
InChIKeyJXPCBLXJLWMBEW-UHFFFAOYSA-N
XLogP0.53
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methyl 5-{[(2-furylmethyl)amino]sulfonyl}-2-furoate
CID 2743003
4-[(Cyclohexylamino)sulfonyl]-2-furamide
CID 3244349
N-(furan-2-ylmethyl)-1-phenylmethanesulfonamide
CID 798773
N-(2-cyanoethyl)-N-[(5-formylfuran-2-yl)methyl]methanesulfonamide
CID 1714327
5-ethyl-N-propylsulfonylfuran-2-carboxamide
CID 71874822
N-(furan-2-ylmethyl)methanesulfonamide
CID 240162
5-(Methanesulfonamidomethyl)furan-2-carboxylic acid
CID 71755703
(6R)-2-fluoro-N-(furan-2-ylmethyl)-6-hydroxycyclohexa-1,3-diene-1-sulfonamide
CID 146160375
5-(N-tosylaminomethyl)furfural
CID 974549
Propane-1-sulfonic acid (furan-2-ylmethyl)-amide
CID 2445210
N-[(furan-2-yl)methyl]-1,1-dioxo-1lambda6-thiolane-3-sulfonamide
CID 2850965
5,5,5-trichloro-N-(furan-2-ylmethyl)pentane-1-sulfonamide
CID 5003834

Frequently Asked Questions

What is the IUPAC name of N-[(5-formylfuran-2-yl)methyl]ethanesulfonamide?
The IUPAC name of N-[(5-formylfuran-2-yl)methyl]ethanesulfonamide (CID 44754696) is N-[(5-formylfuran-2-yl)methyl]ethanesulfonamide.
What is the SMILES notation for N-[(5-formylfuran-2-yl)methyl]ethanesulfonamide?
The canonical SMILES for N-[(5-formylfuran-2-yl)methyl]ethanesulfonamide is CCS(=O)(=O)NCc1ccc(C=O)o1.
What is the InChIKey of N-[(5-formylfuran-2-yl)methyl]ethanesulfonamide?
The InChIKey is JXPCBLXJLWMBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4S/c1-2-14(11,12)9-5-7-3-4-8(6-10)13-7/h3-4,6,9H,2,5H2,1H3.
What are the key properties of N-[(5-formylfuran-2-yl)methyl]ethanesulfonamide?
N-[(5-formylfuran-2-yl)methyl]ethanesulfonamide has a molecular weight of 217.25 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-formylfuran-2-yl)methyl]ethanesulfonamide is sourced from PubChem (CID 44754696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).