N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfonylethanesulfonamide

C6H13F2NO5S2 — CID 104858743

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfonylethanesulfonamide
SMILESCS(=O)(=O)CCS(=O)(=O)NCC(F)(F)CO
InChIInChI=1S/C6H13F2NO5S2/c1-15(11,12)2-3-16(13,14)9-4-6(7,8)5-10/h9-10H,2-5H2,1H3
InChIKeyDNCFBAVSHPCSSU-UHFFFAOYSA-N
MW281.30 g/mol
LogP-1.42
Rot. Bonds7

About N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfonylethanesulfonamide

N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfonylethanesulfonamide (PubChem CID 104858743) has the molecular formula C6H13F2NO5S2 and a molecular weight of 281.30 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfonylethanesulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfonylethanesulfonamide
PubChem CID104858743
Molecular FormulaC6H13F2NO5S2
Molecular Weight281.30 g/mol
Exact Mass281.02
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfonylethanesulfonamide
SMILESCS(=O)(=O)CCS(=O)(=O)NCC(F)(F)CO
InChIInChI=1S/C6H13F2NO5S2/c1-15(11,12)2-3-16(13,14)9-4-6(7,8)5-10/h9-10H,2-5H2,1H3
InChIKeyDNCFBAVSHPCSSU-UHFFFAOYSA-N
XLogP-1.42
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 5-1.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfonylethanesulfonamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfonylethanesulfonamide (CID 104858743) is N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfonylethanesulfonamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfonylethanesulfonamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfonylethanesulfonamide is CS(=O)(=O)CCS(=O)(=O)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfonylethanesulfonamide?
The InChIKey is DNCFBAVSHPCSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2NO5S2/c1-15(11,12)2-3-16(13,14)9-4-6(7,8)5-10/h9-10H,2-5H2,1H3.
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfonylethanesulfonamide?
N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfonylethanesulfonamide has a molecular weight of 281.30 g/mol, XLogP of -1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfonylethanesulfonamide is sourced from PubChem (CID 104858743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).