2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)ethanesulfonamide

C6H12F3NO5S2 — CID 103834045

IUPAC2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)ethanesulfonamide
SMILESCS(=O)(=O)CCS(=O)(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C6H12F3NO5S2/c1-16(12,13)2-3-17(14,15)10-4-5(11)6(7,8)9/h5,10-11H,2-4H2,1H3
InChIKeyFVOFMAPEUHINRH-UHFFFAOYSA-N
MW299.29 g/mol
LogP-1.13
Rot. Bonds6

About 2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)ethanesulfonamide

2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)ethanesulfonamide (PubChem CID 103834045) has the molecular formula C6H12F3NO5S2 and a molecular weight of 299.29 g/mol. Its IUPAC name is 2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)ethanesulfonamide.

Molecular Properties

Compound Name2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)ethanesulfonamide
PubChem CID103834045
Molecular FormulaC6H12F3NO5S2
Molecular Weight299.29 g/mol
Exact Mass299.01
IUPAC Name2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)ethanesulfonamide
SMILESCS(=O)(=O)CCS(=O)(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C6H12F3NO5S2/c1-16(12,13)2-3-17(14,15)10-4-5(11)6(7,8)9/h5,10-11H,2-4H2,1H3
InChIKeyFVOFMAPEUHINRH-UHFFFAOYSA-N
XLogP-1.13
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)ethanesulfonamide?
The IUPAC name of 2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)ethanesulfonamide (CID 103834045) is 2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)ethanesulfonamide.
What is the SMILES notation for 2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)ethanesulfonamide?
The canonical SMILES for 2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)ethanesulfonamide is CS(=O)(=O)CCS(=O)(=O)NCC(O)C(F)(F)F.
What is the InChIKey of 2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)ethanesulfonamide?
The InChIKey is FVOFMAPEUHINRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO5S2/c1-16(12,13)2-3-17(14,15)10-4-5(11)6(7,8)9/h5,10-11H,2-4H2,1H3.
What are the key properties of 2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)ethanesulfonamide?
2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)ethanesulfonamide has a molecular weight of 299.29 g/mol, XLogP of -1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)ethanesulfonamide is sourced from PubChem (CID 103834045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).