5-formyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-2-sulfonamide

C8H8F3NO4S2 — CID 106433441

IUPAC5-formyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-2-sulfonamide
SMILESO=Cc1ccc(S(=O)(=O)NCCSC(F)(F)F)o1
InChIInChI=1S/C8H8F3NO4S2/c9-8(10,11)17-4-3-12-18(14,15)7-2-1-6(5-13)16-7/h1-2,5,12H,3-4H2
InChIKeyMOQKPWOZJWMZLT-UHFFFAOYSA-N
MW303.28 g/mol
LogP1.62
Rot. Bonds6

About 5-formyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-2-sulfonamide

5-formyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-2-sulfonamide (PubChem CID 106433441) has the molecular formula C8H8F3NO4S2 and a molecular weight of 303.28 g/mol. Its IUPAC name is 5-formyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-2-sulfonamide.

Molecular Properties

Compound Name5-formyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-2-sulfonamide
PubChem CID106433441
Molecular FormulaC8H8F3NO4S2
Molecular Weight303.28 g/mol
Exact Mass302.98
IUPAC Name5-formyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-2-sulfonamide
SMILESO=Cc1ccc(S(=O)(=O)NCCSC(F)(F)F)o1
InChIInChI=1S/C8H8F3NO4S2/c9-8(10,11)17-4-3-12-18(14,15)7-2-1-6(5-13)16-7/h1-2,5,12H,3-4H2
InChIKeyMOQKPWOZJWMZLT-UHFFFAOYSA-N
XLogP1.62
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(ethylaminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]furan-2-sulfonamide
CID 106433466
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
5-formyl-N-(3-methylsulfinylbutyl)furan-2-sulfonamide
CID 113490916
4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 75406437
3-bromo-4-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106432524
4-(aminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106430233
4-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106430253
N-[(1-ethylcyclobutyl)methyl]-5-formylfuran-2-sulfonamide
CID 114109779
5-formyl-N-[(3-hydroxycyclopentyl)methyl]furan-2-sulfonamide
CID 114148606
6-amino-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide
CID 114187255
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-formylfuran-2-sulfonamide
CID 106304253

Frequently Asked Questions

What is the IUPAC name of 5-formyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-2-sulfonamide?
The IUPAC name of 5-formyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-2-sulfonamide (CID 106433441) is 5-formyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-2-sulfonamide.
What is the SMILES notation for 5-formyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-2-sulfonamide?
The canonical SMILES for 5-formyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-2-sulfonamide is O=Cc1ccc(S(=O)(=O)NCCSC(F)(F)F)o1.
What is the InChIKey of 5-formyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-2-sulfonamide?
The InChIKey is MOQKPWOZJWMZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO4S2/c9-8(10,11)17-4-3-12-18(14,15)7-2-1-6(5-13)16-7/h1-2,5,12H,3-4H2.
What are the key properties of 5-formyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-2-sulfonamide?
5-formyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-2-sulfonamide has a molecular weight of 303.28 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-2-sulfonamide is sourced from PubChem (CID 106433441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).