N-(2,2-difluoro-3-hydroxypropyl)-2-propan-2-yloxyethanesulfonamide

C8H17F2NO4S — CID 104858720

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NCC(F)(F)CO
InChIInChI=1S/C8H17F2NO4S/c1-7(2)15-3-4-16(13,14)11-5-8(9,10)6-12/h7,11-12H,3-6H2,1-2H3
InChIKeyLYLHBTNJXFGEMV-UHFFFAOYSA-N
MW261.29 g/mol
LogP-0.04
Rot. Bonds8

About N-(2,2-difluoro-3-hydroxypropyl)-2-propan-2-yloxyethanesulfonamide

N-(2,2-difluoro-3-hydroxypropyl)-2-propan-2-yloxyethanesulfonamide (PubChem CID 104858720) has the molecular formula C8H17F2NO4S and a molecular weight of 261.29 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2-propan-2-yloxyethanesulfonamide
PubChem CID104858720
Molecular FormulaC8H17F2NO4S
Molecular Weight261.29 g/mol
Exact Mass261.08
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NCC(F)(F)CO
InChIInChI=1S/C8H17F2NO4S/c1-7(2)15-3-4-16(13,14)11-5-8(9,10)6-12/h7,11-12H,3-6H2,1-2H3
InChIKeyLYLHBTNJXFGEMV-UHFFFAOYSA-N
XLogP-0.04
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-2-propan-2-yloxyethanesulfonamide
CID 79593878
N-(1-hydroxy-2-methylpropan-2-yl)-2-propan-2-yloxyethanesulfonamide
CID 79593875
2-hydroxy-2-methyl-3-(2-propan-2-yloxyethylsulfonylamino)propanoic acid
CID 79594626
N'-hydroxy-2,2-dimethyl-3-(2-propan-2-yloxyethylsulfonylamino)propanimidamide
CID 104873870
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-propan-2-yloxyethanesulfonamide
CID 71911079
N-[(2S)-2-hydroxypropyl]-2-propan-2-yloxyethanesulfonamide
CID 83029580
3,3,3-trifluoro-2-methyl-2-(2-propan-2-yloxyethylsulfonylamino)propanoic acid
CID 79792891
2-hydroxy-3-(2-propan-2-yloxyethylsulfonylamino)propanamide
CID 107258283
1-chloro-N-(2,2-difluoro-3-hydroxypropyl)methanesulfonamide
CID 106178272
N-(2-chloroprop-2-enyl)-2-propan-2-yloxyethanesulfonamide
CID 115674519
N-(3-aminobutyl)-2-propan-2-yloxyethanesulfonamide
CID 79593799
(2S)-2-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]propanoic acid
CID 119238322

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-propan-2-yloxyethanesulfonamide (CID 104858720) is N-(2,2-difluoro-3-hydroxypropyl)-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2-propan-2-yloxyethanesulfonamide is CC(C)OCCS(=O)(=O)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2-propan-2-yloxyethanesulfonamide?
The InChIKey is LYLHBTNJXFGEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO4S/c1-7(2)15-3-4-16(13,14)11-5-8(9,10)6-12/h7,11-12H,3-6H2,1-2H3.
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2-propan-2-yloxyethanesulfonamide?
N-(2,2-difluoro-3-hydroxypropyl)-2-propan-2-yloxyethanesulfonamide has a molecular weight of 261.29 g/mol, XLogP of -0.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 104858720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).