4-(hydroxymethyl)-2,5-dimethyl-N-(4,4,4-trifluorobutyl)furan-3-sulfonamide

C11H16F3NO4S — CID 115522681

IUPAC4-(hydroxymethyl)-2,5-dimethyl-N-(4,4,4-trifluorobutyl)furan-3-sulfonamide
SMILESCc1oc(C)c(S(=O)(=O)NCCCC(F)(F)F)c1CO
InChIInChI=1S/C11H16F3NO4S/c1-7-9(6-16)10(8(2)19-7)20(17,18)15-5-3-4-11(12,13)14/h15-16H,3-6H2,1-2H3
InChIKeyKCLPOYJKEXAXRT-UHFFFAOYSA-N
MW315.31 g/mol
LogP2.01
Rot. Bonds6

About 4-(hydroxymethyl)-2,5-dimethyl-N-(4,4,4-trifluorobutyl)furan-3-sulfonamide

4-(hydroxymethyl)-2,5-dimethyl-N-(4,4,4-trifluorobutyl)furan-3-sulfonamide (PubChem CID 115522681) has the molecular formula C11H16F3NO4S and a molecular weight of 315.31 g/mol. Its IUPAC name is 4-(hydroxymethyl)-2,5-dimethyl-N-(4,4,4-trifluorobutyl)furan-3-sulfonamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-2,5-dimethyl-N-(4,4,4-trifluorobutyl)furan-3-sulfonamide
PubChem CID115522681
Molecular FormulaC11H16F3NO4S
Molecular Weight315.31 g/mol
Exact Mass315.08
IUPAC Name4-(hydroxymethyl)-2,5-dimethyl-N-(4,4,4-trifluorobutyl)furan-3-sulfonamide
SMILESCc1oc(C)c(S(=O)(=O)NCCCC(F)(F)F)c1CO
InChIInChI=1S/C11H16F3NO4S/c1-7-9(6-16)10(8(2)19-7)20(17,18)15-5-3-4-11(12,13)14/h15-16H,3-6H2,1-2H3
InChIKeyKCLPOYJKEXAXRT-UHFFFAOYSA-N
XLogP2.01
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(hydroxymethyl)-2,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide
CID 106433633
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
2,5-dimethyl-4-(methylaminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide
CID 106433836
4-methyl-N-(4,4,4-trifluorobutyl)benzenesulfonamide
CID 138979627
4-(aminomethyl)-2,5-dimethyl-N-(3-propoxypropyl)furan-3-sulfonamide
CID 106074131
2,5-dimethyl-4-(3-methylsulfonylpropylsulfamoyl)furan-3-carboxylic acid
CID 61020522
4-[(4-amino-4-oxobutyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
CID 60864108
4-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]-2,5-dimethylfuran-3-sulfonamide
CID 106001600
4-[(5-hydroxy-4-methylpentyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
CID 106155956
4-(3-methoxypropylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid
CID 43330869
2,5-dimethyl-4-(pent-4-ynylsulfamoyl)furan-3-carboxylic acid
CID 106220027

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-2,5-dimethyl-N-(4,4,4-trifluorobutyl)furan-3-sulfonamide?
The IUPAC name of 4-(hydroxymethyl)-2,5-dimethyl-N-(4,4,4-trifluorobutyl)furan-3-sulfonamide (CID 115522681) is 4-(hydroxymethyl)-2,5-dimethyl-N-(4,4,4-trifluorobutyl)furan-3-sulfonamide.
What is the SMILES notation for 4-(hydroxymethyl)-2,5-dimethyl-N-(4,4,4-trifluorobutyl)furan-3-sulfonamide?
The canonical SMILES for 4-(hydroxymethyl)-2,5-dimethyl-N-(4,4,4-trifluorobutyl)furan-3-sulfonamide is Cc1oc(C)c(S(=O)(=O)NCCCC(F)(F)F)c1CO.
What is the InChIKey of 4-(hydroxymethyl)-2,5-dimethyl-N-(4,4,4-trifluorobutyl)furan-3-sulfonamide?
The InChIKey is KCLPOYJKEXAXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO4S/c1-7-9(6-16)10(8(2)19-7)20(17,18)15-5-3-4-11(12,13)14/h15-16H,3-6H2,1-2H3.
What are the key properties of 4-(hydroxymethyl)-2,5-dimethyl-N-(4,4,4-trifluorobutyl)furan-3-sulfonamide?
4-(hydroxymethyl)-2,5-dimethyl-N-(4,4,4-trifluorobutyl)furan-3-sulfonamide has a molecular weight of 315.31 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-2,5-dimethyl-N-(4,4,4-trifluorobutyl)furan-3-sulfonamide is sourced from PubChem (CID 115522681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).