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

C9H13F2NO4S2 — CID 106001559

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-2-(hydroxymethyl)thiophene-3-sulfonamide
SMILESO=S(=O)(NCCOCC(F)F)c1ccsc1CO
InChIInChI=1S/C9H13F2NO4S2/c10-9(11)6-16-3-2-12-18(14,15)8-1-4-17-7(8)5-13/h1,4,9,12-13H,2-3,5-6H2
InChIKeyZLUAKNBUAWQXRL-UHFFFAOYSA-N
MW301.34 g/mol
LogP0.80
Rot. Bonds8

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

N-[2-(2,2-difluoroethoxy)ethyl]-2-(hydroxymethyl)thiophene-3-sulfonamide (PubChem CID 106001559) has the molecular formula C9H13F2NO4S2 and a molecular weight of 301.34 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-2-(hydroxymethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-2-(hydroxymethyl)thiophene-3-sulfonamide
PubChem CID106001559
Molecular FormulaC9H13F2NO4S2
Molecular Weight301.34 g/mol
Exact Mass301.03
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-2-(hydroxymethyl)thiophene-3-sulfonamide
SMILESO=S(=O)(NCCOCC(F)F)c1ccsc1CO
InChIInChI=1S/C9H13F2NO4S2/c10-9(11)6-16-3-2-12-18(14,15)8-1-4-17-7(8)5-13/h1,4,9,12-13H,2-3,5-6H2
InChIKeyZLUAKNBUAWQXRL-UHFFFAOYSA-N
XLogP0.80
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(2,2-difluoroethoxy)ethyl]-2-(hydroxymethyl)thiophene-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-methylpropoxy)ethyl]-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106085314
N-[2-(2,2-difluoroethoxy)ethyl]-4-(hydroxymethyl)benzenesulfonamide
CID 106001506
N-[2-(2,2-difluoroethoxy)ethyl]-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide
CID 106001563
N-[2-(diethylamino)ethyl]-2-(hydroxymethyl)thiophene-3-sulfonamide
CID 114132259
2-(ethylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-3-sulfonamide
CID 106064642
2-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)thiophene-3-sulfonamide
CID 106019845
5-(aminomethyl)-N-[2-(2,2-difluoroethoxy)ethyl]-2-fluorobenzenesulfonamide
CID 106091865
2-(hydroxymethyl)-N-(5-methylsulfanylpentyl)thiophene-3-sulfonamide
CID 106002506
2-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-4-methylbenzenesulfonamide
CID 103081891
3-[2-(2-hydroxyethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 62499441
4-(aminomethyl)-2-bromo-N-[2-(2,2-difluoroethoxy)ethyl]benzenesulfonamide
CID 106091823
2-(hydroxymethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-3-sulfonamide
CID 106423536

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-2-(hydroxymethyl)thiophene-3-sulfonamide?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-2-(hydroxymethyl)thiophene-3-sulfonamide (CID 106001559) is N-[2-(2,2-difluoroethoxy)ethyl]-2-(hydroxymethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-2-(hydroxymethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-2-(hydroxymethyl)thiophene-3-sulfonamide is O=S(=O)(NCCOCC(F)F)c1ccsc1CO.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-2-(hydroxymethyl)thiophene-3-sulfonamide?
The InChIKey is ZLUAKNBUAWQXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO4S2/c10-9(11)6-16-3-2-12-18(14,15)8-1-4-17-7(8)5-13/h1,4,9,12-13H,2-3,5-6H2.
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-2-(hydroxymethyl)thiophene-3-sulfonamide?
N-[2-(2,2-difluoroethoxy)ethyl]-2-(hydroxymethyl)thiophene-3-sulfonamide has a molecular weight of 301.34 g/mol, XLogP of 0.80, 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]-2-(hydroxymethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106001559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).