1,1-difluoro-2-hydroxy-N-phenylethanesulfonamide

C8H9F2NO3S — CID 154485726

IUPAC1,1-difluoro-2-hydroxy-N-phenylethanesulfonamide
SMILESO=S(=O)(Nc1ccccc1)C(F)(F)CO
InChIInChI=1S/C8H9F2NO3S/c9-8(10,6-12)15(13,14)11-7-4-2-1-3-5-7/h1-5,11-12H,6H2
InChIKeyYVYIXWDUDYRWHF-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.01
Rot. Bonds4

About 1,1-difluoro-2-hydroxy-N-phenylethanesulfonamide

1,1-difluoro-2-hydroxy-N-phenylethanesulfonamide (PubChem CID 154485726) has the molecular formula C8H9F2NO3S and a molecular weight of 237.23 g/mol. Its IUPAC name is 1,1-difluoro-2-hydroxy-N-phenylethanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-2-hydroxy-N-phenylethanesulfonamide
PubChem CID154485726
Molecular FormulaC8H9F2NO3S
Molecular Weight237.23 g/mol
Exact Mass237.03
IUPAC Name1,1-difluoro-2-hydroxy-N-phenylethanesulfonamide
SMILESO=S(=O)(Nc1ccccc1)C(F)(F)CO
InChIInChI=1S/C8H9F2NO3S/c9-8(10,6-12)15(13,14)11-7-4-2-1-3-5-7/h1-5,11-12H,6H2
InChIKeyYVYIXWDUDYRWHF-UHFFFAOYSA-N
XLogP1.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-hydroxy-N-phenylethanesulfonamide?
The IUPAC name of 1,1-difluoro-2-hydroxy-N-phenylethanesulfonamide (CID 154485726) is 1,1-difluoro-2-hydroxy-N-phenylethanesulfonamide.
What is the SMILES notation for 1,1-difluoro-2-hydroxy-N-phenylethanesulfonamide?
The canonical SMILES for 1,1-difluoro-2-hydroxy-N-phenylethanesulfonamide is O=S(=O)(Nc1ccccc1)C(F)(F)CO.
What is the InChIKey of 1,1-difluoro-2-hydroxy-N-phenylethanesulfonamide?
The InChIKey is YVYIXWDUDYRWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO3S/c9-8(10,6-12)15(13,14)11-7-4-2-1-3-5-7/h1-5,11-12H,6H2.
What are the key properties of 1,1-difluoro-2-hydroxy-N-phenylethanesulfonamide?
1,1-difluoro-2-hydroxy-N-phenylethanesulfonamide has a molecular weight of 237.23 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-hydroxy-N-phenylethanesulfonamide is sourced from PubChem (CID 154485726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).