N-[2-(2,2-difluoroethoxy)ethyl]-4-(hydroxymethyl)benzenesulfonamide

C11H15F2NO4S — CID 106001506

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-4-(hydroxymethyl)benzenesulfonamide
SMILESO=S(=O)(NCCOCC(F)F)c1ccc(CO)cc1
InChIInChI=1S/C11H15F2NO4S/c12-11(13)8-18-6-5-14-19(16,17)10-3-1-9(7-15)2-4-10/h1-4,11,14-15H,5-8H2
InChIKeyYFUKJSKGSKWYHU-UHFFFAOYSA-N
MW295.31 g/mol
LogP0.74
Rot. Bonds8

About N-[2-(2,2-difluoroethoxy)ethyl]-4-(hydroxymethyl)benzenesulfonamide

N-[2-(2,2-difluoroethoxy)ethyl]-4-(hydroxymethyl)benzenesulfonamide (PubChem CID 106001506) has the molecular formula C11H15F2NO4S and a molecular weight of 295.31 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-4-(hydroxymethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-4-(hydroxymethyl)benzenesulfonamide
PubChem CID106001506
Molecular FormulaC11H15F2NO4S
Molecular Weight295.31 g/mol
Exact Mass295.07
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-4-(hydroxymethyl)benzenesulfonamide
SMILESO=S(=O)(NCCOCC(F)F)c1ccc(CO)cc1
InChIInChI=1S/C11H15F2NO4S/c12-11(13)8-18-6-5-14-19(16,17)10-3-1-9(7-15)2-4-10/h1-4,11,14-15H,5-8H2
InChIKeyYFUKJSKGSKWYHU-UHFFFAOYSA-N
XLogP0.74
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 50.74
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

N-[2-(2,2-difluoroethoxy)ethyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 114128815
N-[2-(2,2-difluoroethoxy)ethyl]-2-(hydroxymethyl)thiophene-3-sulfonamide
CID 106001559
5-(aminomethyl)-N-[2-(2,2-difluoroethoxy)ethyl]-2-fluorobenzenesulfonamide
CID 106091865
4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide
CID 61248662
N-[2-(2,2-difluoroethoxy)ethyl]-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide
CID 106001563
4-(aminomethyl)-2-bromo-N-[2-(2,2-difluoroethoxy)ethyl]benzenesulfonamide
CID 106091823
4-[2-(2-methylpropoxy)ethylsulfamoyl]benzoic acid
CID 115588284
N-[2-(2,2-difluoroethoxy)ethyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 106001528
4-(hydroxymethyl)-N-(7-methyloctyl)benzenesulfonamide
CID 107818586
4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 90990660
[4-[2-(2,2-difluoroethoxy)ethylsulfonyl]phenyl]methanamine
CID 82004941
3-amino-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2-sulfonamide
CID 114129366

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-4-(hydroxymethyl)benzenesulfonamide?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-4-(hydroxymethyl)benzenesulfonamide (CID 106001506) is N-[2-(2,2-difluoroethoxy)ethyl]-4-(hydroxymethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-4-(hydroxymethyl)benzenesulfonamide?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-4-(hydroxymethyl)benzenesulfonamide is O=S(=O)(NCCOCC(F)F)c1ccc(CO)cc1.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-4-(hydroxymethyl)benzenesulfonamide?
The InChIKey is YFUKJSKGSKWYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO4S/c12-11(13)8-18-6-5-14-19(16,17)10-3-1-9(7-15)2-4-10/h1-4,11,14-15H,5-8H2.
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-4-(hydroxymethyl)benzenesulfonamide?
N-[2-(2,2-difluoroethoxy)ethyl]-4-(hydroxymethyl)benzenesulfonamide has a molecular weight of 295.31 g/mol, XLogP of 0.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]-4-(hydroxymethyl)benzenesulfonamide is sourced from PubChem (CID 106001506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).