N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylethanesulfonamide

C12H17F2NO3S — CID 107483491

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)N(CCO)CC(F)F
InChIInChI=1S/C12H17F2NO3S/c13-12(14)10-15(7-8-16)19(17,18)9-6-11-4-2-1-3-5-11/h1-5,12,16H,6-10H2
InChIKeyYUQJBMXOABXBQP-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.12
Rot. Bonds8

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylethanesulfonamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylethanesulfonamide (PubChem CID 107483491) has the molecular formula C12H17F2NO3S and a molecular weight of 293.33 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylethanesulfonamide
PubChem CID107483491
Molecular FormulaC12H17F2NO3S
Molecular Weight293.33 g/mol
Exact Mass293.09
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)N(CCO)CC(F)F
InChIInChI=1S/C12H17F2NO3S/c13-12(14)10-15(7-8-16)19(17,18)9-6-11-4-2-1-3-5-11/h1-5,12,16H,6-10H2
InChIKeyYUQJBMXOABXBQP-UHFFFAOYSA-N
XLogP1.12
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(aminomethyl)phenyl]-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)methanesulfonamide
CID 107479114
N-(2,2-difluoroethyl)-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide
CID 107481599
2-(3-aminophenoxy)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)ethanesulfonamide
CID 107478035
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propan-2-yloxyethanesulfonamide
CID 107483600
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(methylamino)benzenesulfonamide
CID 107485944
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 107480963
N-butyl-N-(2-hydroxyethyl)-2-pyridin-4-ylethanesulfonamide
CID 61448116
methyl 4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]butanoate
CID 107478984
N-benzyl-N-(2-hydroxyethyl)methanesulfonamide
CID 3329134
N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 668951
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide
CID 107483531
4-[methyl(2-phenylethylsulfonyl)amino]butanoic acid
CID 39385608

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylethanesulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylethanesulfonamide (CID 107483491) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylethanesulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylethanesulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylethanesulfonamide is O=S(=O)(CCc1ccccc1)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylethanesulfonamide?
The InChIKey is YUQJBMXOABXBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO3S/c13-12(14)10-15(7-8-16)19(17,18)9-6-11-4-2-1-3-5-11/h1-5,12,16H,6-10H2.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylethanesulfonamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylethanesulfonamide has a molecular weight of 293.33 g/mol, XLogP of 1.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylethanesulfonamide is sourced from PubChem (CID 107483491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).