5-formyl-N-[(1-methoxycyclobutyl)methyl]furan-2-sulfonamide

C11H15NO5S — CID 114120943

IUPAC5-formyl-N-[(1-methoxycyclobutyl)methyl]furan-2-sulfonamide
SMILESCOC1(CNS(=O)(=O)c2ccc(C=O)o2)CCC1
InChIInChI=1S/C11H15NO5S/c1-16-11(5-2-6-11)8-12-18(14,15)10-4-3-9(7-13)17-10/h3-4,7,12H,2,5-6,8H2,1H3
InChIKeyRAZDLKYLZBDVMF-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.94
Rot. Bonds6

About 5-formyl-N-[(1-methoxycyclobutyl)methyl]furan-2-sulfonamide

5-formyl-N-[(1-methoxycyclobutyl)methyl]furan-2-sulfonamide (PubChem CID 114120943) has the molecular formula C11H15NO5S and a molecular weight of 273.31 g/mol. Its IUPAC name is 5-formyl-N-[(1-methoxycyclobutyl)methyl]furan-2-sulfonamide.

Molecular Properties

Compound Name5-formyl-N-[(1-methoxycyclobutyl)methyl]furan-2-sulfonamide
PubChem CID114120943
Molecular FormulaC11H15NO5S
Molecular Weight273.31 g/mol
Exact Mass273.07
IUPAC Name5-formyl-N-[(1-methoxycyclobutyl)methyl]furan-2-sulfonamide
SMILESCOC1(CNS(=O)(=O)c2ccc(C=O)o2)CCC1
InChIInChI=1S/C11H15NO5S/c1-16-11(5-2-6-11)8-12-18(14,15)10-4-3-9(7-13)17-10/h3-4,7,12H,2,5-6,8H2,1H3
InChIKeyRAZDLKYLZBDVMF-UHFFFAOYSA-N
XLogP0.94
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.94
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-methyl-N-(3,3,3-trifluoropropyl)furan-2-sulfonamide
CID 65577397
5-formyl-N-methyl-N-(2,2,2-trifluoroethyl)furan-2-sulfonamide
CID 65578932
5-formyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]furan-2-sulfonamide
CID 65579330
5-formyl-N-(2,2,2-trifluoroethyl)furan-2-sulfonamide
CID 65579883
N-ethyl-5-formyl-N-(2,2,2-trifluoroethyl)furan-2-sulfonamide
CID 65579900
5-formyl-N-(3,3,3-trifluoropropyl)furan-2-sulfonamide
CID 65579910
5-formyl-N-propyl-N-(2,2,2-trifluoroethyl)furan-2-sulfonamide
CID 65580096
N-(2,2-difluoro-3-hydroxypropyl)-5-formylfuran-2-sulfonamide
CID 106178314
5-formyl-N-(2,2,3,3-tetrafluoropropyl)furan-2-sulfonamide
CID 106295742
5-formyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-2-sulfonamide
CID 106433441
5-formyl-N-(4,4,4-trifluorobutyl)furan-2-sulfonamide
CID 113328173
5-formyl-N-(5,5,5-trifluoropentyl)furan-2-sulfonamide
CID 113328174

Frequently Asked Questions

What is the IUPAC name of 5-formyl-N-[(1-methoxycyclobutyl)methyl]furan-2-sulfonamide?
The IUPAC name of 5-formyl-N-[(1-methoxycyclobutyl)methyl]furan-2-sulfonamide (CID 114120943) is 5-formyl-N-[(1-methoxycyclobutyl)methyl]furan-2-sulfonamide.
What is the SMILES notation for 5-formyl-N-[(1-methoxycyclobutyl)methyl]furan-2-sulfonamide?
The canonical SMILES for 5-formyl-N-[(1-methoxycyclobutyl)methyl]furan-2-sulfonamide is COC1(CNS(=O)(=O)c2ccc(C=O)o2)CCC1.
What is the InChIKey of 5-formyl-N-[(1-methoxycyclobutyl)methyl]furan-2-sulfonamide?
The InChIKey is RAZDLKYLZBDVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S/c1-16-11(5-2-6-11)8-12-18(14,15)10-4-3-9(7-13)17-10/h3-4,7,12H,2,5-6,8H2,1H3.
What are the key properties of 5-formyl-N-[(1-methoxycyclobutyl)methyl]furan-2-sulfonamide?
5-formyl-N-[(1-methoxycyclobutyl)methyl]furan-2-sulfonamide has a molecular weight of 273.31 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyl-N-[(1-methoxycyclobutyl)methyl]furan-2-sulfonamide is sourced from PubChem (CID 114120943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).