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

C6H13F2NO5S2 — CID 103836843

IUPACN-(3,3-difluoro-2-hydroxypropyl)-2-methylsulfonylethanesulfonamide
SMILESCS(=O)(=O)CCS(=O)(=O)NCC(O)C(F)F
InChIInChI=1S/C6H13F2NO5S2/c1-15(11,12)2-3-16(13,14)9-4-5(10)6(7)8/h5-6,9-10H,2-4H2,1H3
InChIKeyVTHLTXIXOFEVKM-UHFFFAOYSA-N
MW281.30 g/mol
LogP-1.42
Rot. Bonds7

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

N-(3,3-difluoro-2-hydroxypropyl)-2-methylsulfonylethanesulfonamide (PubChem CID 103836843) has the molecular formula C6H13F2NO5S2 and a molecular weight of 281.30 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-2-methylsulfonylethanesulfonamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-2-methylsulfonylethanesulfonamide
PubChem CID103836843
Molecular FormulaC6H13F2NO5S2
Molecular Weight281.30 g/mol
Exact Mass281.02
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-2-methylsulfonylethanesulfonamide
SMILESCS(=O)(=O)CCS(=O)(=O)NCC(O)C(F)F
InChIInChI=1S/C6H13F2NO5S2/c1-15(11,12)2-3-16(13,14)9-4-5(10)6(7)8/h5-6,9-10H,2-4H2,1H3
InChIKeyVTHLTXIXOFEVKM-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-(3,3-difluoro-2-hydroxypropyl)-2-methylsulfonylethanesulfonamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-methylsulfonylethanesulfonamide (CID 103836843) is N-(3,3-difluoro-2-hydroxypropyl)-2-methylsulfonylethanesulfonamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-2-methylsulfonylethanesulfonamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-2-methylsulfonylethanesulfonamide is CS(=O)(=O)CCS(=O)(=O)NCC(O)C(F)F.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-2-methylsulfonylethanesulfonamide?
The InChIKey is VTHLTXIXOFEVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2NO5S2/c1-15(11,12)2-3-16(13,14)9-4-5(10)6(7)8/h5-6,9-10H,2-4H2,1H3.
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-2-methylsulfonylethanesulfonamide?
N-(3,3-difluoro-2-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-(3,3-difluoro-2-hydroxypropyl)-2-methylsulfonylethanesulfonamide is sourced from PubChem (CID 103836843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).