N-(2,2-difluoroethyl)-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide

C10H13F2NO4S — CID 107481599

IUPACN-(2,2-difluoroethyl)-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1O)N(CCO)CC(F)F
InChIInChI=1S/C10H13F2NO4S/c11-10(12)7-13(5-6-14)18(16,17)9-4-2-1-3-8(9)15/h1-4,10,14-15H,5-7H2
InChIKeyXYDYIQNSGIVFCH-UHFFFAOYSA-N
MW281.28 g/mol
LogP0.64
Rot. Bonds6

About N-(2,2-difluoroethyl)-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide

N-(2,2-difluoroethyl)-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 107481599) has the molecular formula C10H13F2NO4S and a molecular weight of 281.28 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID107481599
Molecular FormulaC10H13F2NO4S
Molecular Weight281.28 g/mol
Exact Mass281.05
IUPAC NameN-(2,2-difluoroethyl)-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1O)N(CCO)CC(F)F
InChIInChI=1S/C10H13F2NO4S/c11-10(12)7-13(5-6-14)18(16,17)9-4-2-1-3-8(9)15/h1-4,10,14-15H,5-7H2
InChIKeyXYDYIQNSGIVFCH-UHFFFAOYSA-N
XLogP0.64
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(methylamino)benzenesulfonamide
CID 107485944
N-benzyl-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide
CID 81233797
4-amino-2-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 107478030
3-amino-2,4-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 107477979
N-ethyl-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 60957801
N-(2,2-difluoroethyl)-2-fluoro-N-(2-hydroxyethyl)-4-nitrobenzenesulfonamide
CID 107483565
3-amino-4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]benzamide
CID 107478040
N-(2,2-difluoroethyl)-4-hydroxy-N-(2-hydroxyethyl)-3-nitrobenzenesulfonamide
CID 107481597
3-bromo-4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]benzoic acid
CID 107479033
5-bromo-4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]furan-2-carboxylic acid
CID 107479013
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylethanesulfonamide
CID 107483491
4-amino-3-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 107477991

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide (CID 107481599) is N-(2,2-difluoroethyl)-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide is O=S(=O)(c1ccccc1O)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is XYDYIQNSGIVFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO4S/c11-10(12)7-13(5-6-14)18(16,17)9-4-2-1-3-8(9)15/h1-4,10,14-15H,5-7H2.
What are the key properties of N-(2,2-difluoroethyl)-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide?
N-(2,2-difluoroethyl)-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 281.28 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 107481599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).