5-(hydroxymethyl)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide

C9H12F3NO4S2 — CID 106433689

IUPAC5-(hydroxymethyl)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide
SMILESCc1oc(CO)cc1S(=O)(=O)NCCSC(F)(F)F
InChIInChI=1S/C9H12F3NO4S2/c1-6-8(4-7(5-14)17-6)19(15,16)13-2-3-18-9(10,11)12/h4,13-14H,2-3,5H2,1H3
InChIKeyCQBLPHGEUIAVQB-UHFFFAOYSA-N
MW319.33 g/mol
LogP1.61
Rot. Bonds6

About 5-(hydroxymethyl)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide

5-(hydroxymethyl)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide (PubChem CID 106433689) has the molecular formula C9H12F3NO4S2 and a molecular weight of 319.33 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide
PubChem CID106433689
Molecular FormulaC9H12F3NO4S2
Molecular Weight319.33 g/mol
Exact Mass319.02
IUPAC Name5-(hydroxymethyl)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide
SMILESCc1oc(CO)cc1S(=O)(=O)NCCSC(F)(F)F
InChIInChI=1S/C9H12F3NO4S2/c1-6-8(4-7(5-14)17-6)19(15,16)13-2-3-18-9(10,11)12/h4,13-14H,2-3,5H2,1H3
InChIKeyCQBLPHGEUIAVQB-UHFFFAOYSA-N
XLogP1.61
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 51.61
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

5-(hydroxymethyl)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-3-sulfonamide
CID 106433635
4-(hydroxymethyl)-2,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide
CID 106433633
N-(3-ethoxypropyl)-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide
CID 114133466
N-[2-(2,2-difluoroethoxy)ethyl]-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide
CID 106001563
5-(hydroxymethyl)-2-methyl-N-(2,3,3-trimethylbutyl)furan-3-sulfonamide
CID 83147038
5-(hydroxymethyl)-2-methyl-N-(4-propan-2-yloxybutyl)furan-3-sulfonamide
CID 106014493
N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide
CID 107473844
5-(hydroxymethyl)-N-(2-methoxypropyl)-2-methylfuran-3-sulfonamide
CID 102701313
5-(ethylaminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]furan-2-sulfonamide
CID 106433466
4-fluoro-2,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106150602
5-methyl-4-(2-methylsulfanylethylsulfamoyl)furan-2-carboxylic acid
CID 62804483
2-amino-4-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106425720

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide?
The IUPAC name of 5-(hydroxymethyl)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide (CID 106433689) is 5-(hydroxymethyl)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide.
What is the SMILES notation for 5-(hydroxymethyl)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide?
The canonical SMILES for 5-(hydroxymethyl)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide is Cc1oc(CO)cc1S(=O)(=O)NCCSC(F)(F)F.
What is the InChIKey of 5-(hydroxymethyl)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide?
The InChIKey is CQBLPHGEUIAVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO4S2/c1-6-8(4-7(5-14)17-6)19(15,16)13-2-3-18-9(10,11)12/h4,13-14H,2-3,5H2,1H3.
What are the key properties of 5-(hydroxymethyl)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide?
5-(hydroxymethyl)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide has a molecular weight of 319.33 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide is sourced from PubChem (CID 106433689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).