2,4,6-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide

C12H14F3NO4S — CID 106298962

IUPAC2,4,6-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide
SMILESO=S(=O)(NC1(CO)CCOCC1)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H14F3NO4S/c13-8-5-9(14)11(10(15)6-8)21(18,19)16-12(7-17)1-3-20-4-2-12/h5-6,16-17H,1-4,7H2
InChIKeyNLFDLGYHUMQIHZ-UHFFFAOYSA-N
MW325.31 g/mol
LogP0.92
Rot. Bonds4

About 2,4,6-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide

2,4,6-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide (PubChem CID 106298962) has the molecular formula C12H14F3NO4S and a molecular weight of 325.31 g/mol. Its IUPAC name is 2,4,6-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide
PubChem CID106298962
Molecular FormulaC12H14F3NO4S
Molecular Weight325.31 g/mol
Exact Mass325.06
IUPAC Name2,4,6-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide
SMILESO=S(=O)(NC1(CO)CCOCC1)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H14F3NO4S/c13-8-5-9(14)11(10(15)6-8)21(18,19)16-12(7-17)1-3-20-4-2-12/h5-6,16-17H,1-4,7H2
InChIKeyNLFDLGYHUMQIHZ-UHFFFAOYSA-N
XLogP0.92
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide?
The IUPAC name of 2,4,6-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide (CID 106298962) is 2,4,6-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide is O=S(=O)(NC1(CO)CCOCC1)c1c(F)cc(F)cc1F.
What is the InChIKey of 2,4,6-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide?
The InChIKey is NLFDLGYHUMQIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO4S/c13-8-5-9(14)11(10(15)6-8)21(18,19)16-12(7-17)1-3-20-4-2-12/h5-6,16-17H,1-4,7H2.
What are the key properties of 2,4,6-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide?
2,4,6-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide has a molecular weight of 325.31 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide is sourced from PubChem (CID 106298962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).