4-(hydroxymethyl)-2,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide

C10H14F3NO4S2 — CID 106433633

IUPAC4-(hydroxymethyl)-2,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide
SMILESCc1oc(C)c(S(=O)(=O)NCCSC(F)(F)F)c1CO
InChIInChI=1S/C10H14F3NO4S2/c1-6-8(5-15)9(7(2)18-6)20(16,17)14-3-4-19-10(11,12)13/h14-15H,3-5H2,1-2H3
InChIKeyANUDTUHUXNAGEZ-UHFFFAOYSA-N
MW333.35 g/mol
LogP1.92
Rot. Bonds6

About 4-(hydroxymethyl)-2,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide

4-(hydroxymethyl)-2,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide (PubChem CID 106433633) has the molecular formula C10H14F3NO4S2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 4-(hydroxymethyl)-2,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-2,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide
PubChem CID106433633
Molecular FormulaC10H14F3NO4S2
Molecular Weight333.35 g/mol
Exact Mass333.03
IUPAC Name4-(hydroxymethyl)-2,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide
SMILESCc1oc(C)c(S(=O)(=O)NCCSC(F)(F)F)c1CO
InChIInChI=1S/C10H14F3NO4S2/c1-6-8(5-15)9(7(2)18-6)20(16,17)14-3-4-19-10(11,12)13/h14-15H,3-5H2,1-2H3
InChIKeyANUDTUHUXNAGEZ-UHFFFAOYSA-N
XLogP1.92
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethyl-4-(methylaminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide
CID 106433836
4-(hydroxymethyl)-2,5-dimethyl-N-(4,4,4-trifluorobutyl)furan-3-sulfonamide
CID 115522681
5-(hydroxymethyl)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide
CID 106433689
N-(2-ethoxyethyl)-4-(hydroxymethyl)-2,5-dimethylfuran-3-sulfonamide
CID 114132079
N-(2,2-dimethylbutyl)-4-(hydroxymethyl)-2,5-dimethylfuran-3-sulfonamide
CID 103465907
4-fluoro-2,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106150602
5-(hydroxymethyl)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-3-sulfonamide
CID 106433635
5-(ethylaminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]furan-2-sulfonamide
CID 106433466
5-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrrole-3-sulfonamide
CID 106433688
4-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrazole-5-sulfonamide
CID 114188372
5-formyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-2-sulfonamide
CID 106433441
4-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106430253

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-2,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide?
The IUPAC name of 4-(hydroxymethyl)-2,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide (CID 106433633) is 4-(hydroxymethyl)-2,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide.
What is the SMILES notation for 4-(hydroxymethyl)-2,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide?
The canonical SMILES for 4-(hydroxymethyl)-2,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide is Cc1oc(C)c(S(=O)(=O)NCCSC(F)(F)F)c1CO.
What is the InChIKey of 4-(hydroxymethyl)-2,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide?
The InChIKey is ANUDTUHUXNAGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO4S2/c1-6-8(5-15)9(7(2)18-6)20(16,17)14-3-4-19-10(11,12)13/h14-15H,3-5H2,1-2H3.
What are the key properties of 4-(hydroxymethyl)-2,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide?
4-(hydroxymethyl)-2,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide has a molecular weight of 333.35 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-2,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide is sourced from PubChem (CID 106433633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).