N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide

C11H15F2NO4S — CID 107483531

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)N(CCO)CC(F)F)c1
InChIInChI=1S/C11H15F2NO4S/c1-18-9-3-2-4-10(7-9)19(16,17)14(5-6-15)8-11(12)13/h2-4,7,11,15H,5-6,8H2,1H3
InChIKeyBRJZPOXBGMXILE-UHFFFAOYSA-N
MW295.31 g/mol
LogP0.94
Rot. Bonds7

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide (PubChem CID 107483531) has the molecular formula C11H15F2NO4S and a molecular weight of 295.31 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide
PubChem CID107483531
Molecular FormulaC11H15F2NO4S
Molecular Weight295.31 g/mol
Exact Mass295.07
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)N(CCO)CC(F)F)c1
InChIInChI=1S/C11H15F2NO4S/c1-18-9-3-2-4-10(7-9)19(16,17)14(5-6-15)8-11(12)13/h2-4,7,11,15H,5-6,8H2,1H3
InChIKeyBRJZPOXBGMXILE-UHFFFAOYSA-N
XLogP0.94
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,5-dimethoxybenzenesulfonamide
CID 166223276
3-[ethyl-(3-methoxyphenyl)sulfonylamino]propanoic acid
CID 81259042
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 107483562
N-(2-hydroxy-3-methoxypropyl)-3-methoxy-N-methylbenzenesulfonamide
CID 81258385
N-(2,2-difluoroethyl)-4-hydroxy-N-(2-hydroxyethyl)-3-nitrobenzenesulfonamide
CID 107481597
N-(2,2-difluoroethyl)-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide
CID 107481599
1-(fluoromethylsulfonyl)-3-methoxybenzene
CID 84721809
N-cyclobutyl-N-(3-hydroxypropyl)-3-methoxybenzenesulfonamide
CID 102867487
N-[(2R,3S)-3-amino-2-methyl-4-phenylbutyl]-3-methoxy-N-pentylbenzenesulfonamide
CID 145484327
N-(2,2-difluoroethyl)-4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
CID 107479241
3-fluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
CID 3835270
N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide
CID 81258228

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide (CID 107483531) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide is COc1cccc(S(=O)(=O)N(CCO)CC(F)F)c1.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide?
The InChIKey is BRJZPOXBGMXILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO4S/c1-18-9-3-2-4-10(7-9)19(16,17)14(5-6-15)8-11(12)13/h2-4,7,11,15H,5-6,8H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide has a molecular weight of 295.31 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide is sourced from PubChem (CID 107483531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).