N-[2-(2,2-difluoroethoxy)ethyl]-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide

C10H15F2NO5S — CID 106001563

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide
SMILESCc1oc(CO)cc1S(=O)(=O)NCCOCC(F)F
InChIInChI=1S/C10H15F2NO5S/c1-7-9(4-8(5-14)18-7)19(15,16)13-2-3-17-6-10(11)12/h4,10,13-14H,2-3,5-6H2,1H3
InChIKeyHPJDPKRHHYNYEL-UHFFFAOYSA-N
MW299.30 g/mol
LogP0.64
Rot. Bonds8

About N-[2-(2,2-difluoroethoxy)ethyl]-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide

N-[2-(2,2-difluoroethoxy)ethyl]-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide (PubChem CID 106001563) has the molecular formula C10H15F2NO5S and a molecular weight of 299.30 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide
PubChem CID106001563
Molecular FormulaC10H15F2NO5S
Molecular Weight299.30 g/mol
Exact Mass299.06
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide
SMILESCc1oc(CO)cc1S(=O)(=O)NCCOCC(F)F
InChIInChI=1S/C10H15F2NO5S/c1-7-9(4-8(5-14)18-7)19(15,16)13-2-3-17-6-10(11)12/h4,10,13-14H,2-3,5-6H2,1H3
InChIKeyHPJDPKRHHYNYEL-UHFFFAOYSA-N
XLogP0.64
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 50.64
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

N-(3-ethoxypropyl)-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide
CID 114133466
5-(hydroxymethyl)-2-methyl-N-(4-propan-2-yloxybutyl)furan-3-sulfonamide
CID 106014493
2-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-4-methylbenzenesulfonamide
CID 103081891
5-(hydroxymethyl)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide
CID 106433689
5-(hydroxymethyl)-N-(2-methoxypropyl)-2-methylfuran-3-sulfonamide
CID 102701313
5-methyl-4-[2-(2-methylpropoxy)ethylsulfamoyl]furan-2-carboxylic acid
CID 104654561
5-(hydroxymethyl)-2-methyl-N-(2,3,3-trimethylbutyl)furan-3-sulfonamide
CID 83147038
5-(hydroxymethyl)-N-(1-methoxybutan-2-yl)-2-methylfuran-3-sulfonamide
CID 114135110
N-[2-(2,2-difluoroethoxy)ethyl]-2-(hydroxymethyl)thiophene-3-sulfonamide
CID 106001559
5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-2-methylfuran-3-sulfonamide
CID 106019622
N-[2-(2,2-difluoroethoxy)ethyl]-4-(hydroxymethyl)benzenesulfonamide
CID 106001506
4-[2-(2-hydroxyethoxy)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62805420

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide (CID 106001563) is N-[2-(2,2-difluoroethoxy)ethyl]-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide is Cc1oc(CO)cc1S(=O)(=O)NCCOCC(F)F.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide?
The InChIKey is HPJDPKRHHYNYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO5S/c1-7-9(4-8(5-14)18-7)19(15,16)13-2-3-17-6-10(11)12/h4,10,13-14H,2-3,5-6H2,1H3.
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide?
N-[2-(2,2-difluoroethoxy)ethyl]-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide has a molecular weight of 299.30 g/mol, XLogP of 0.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide is sourced from PubChem (CID 106001563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).