1,1-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)methanesulfonamide

C7H9F2NO3S2 — CID 104600287

IUPAC1,1-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)methanesulfonamide
SMILESO=S(=O)(NCC(O)c1ccsc1)C(F)F
InChIInChI=1S/C7H9F2NO3S2/c8-7(9)15(12,13)10-3-6(11)5-1-2-14-4-5/h1-2,4,6-7,10-11H,3H2
InChIKeyPFZBKRNRYIKADY-UHFFFAOYSA-N
MW257.28 g/mol
LogP0.92
Rot. Bonds5

About 1,1-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)methanesulfonamide

1,1-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)methanesulfonamide (PubChem CID 104600287) has the molecular formula C7H9F2NO3S2 and a molecular weight of 257.28 g/mol. Its IUPAC name is 1,1-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)methanesulfonamide
PubChem CID104600287
Molecular FormulaC7H9F2NO3S2
Molecular Weight257.28 g/mol
Exact Mass257.00
IUPAC Name1,1-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)methanesulfonamide
SMILESO=S(=O)(NCC(O)c1ccsc1)C(F)F
InChIInChI=1S/C7H9F2NO3S2/c8-7(9)15(12,13)10-3-6(11)5-1-2-14-4-5/h1-2,4,6-7,10-11H,3H2
InChIKeyPFZBKRNRYIKADY-UHFFFAOYSA-N
XLogP0.92
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)methanesulfonamide (CID 104600287) is 1,1-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)methanesulfonamide is O=S(=O)(NCC(O)c1ccsc1)C(F)F.
What is the InChIKey of 1,1-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)methanesulfonamide?
The InChIKey is PFZBKRNRYIKADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2NO3S2/c8-7(9)15(12,13)10-3-6(11)5-1-2-14-4-5/h1-2,4,6-7,10-11H,3H2.
What are the key properties of 1,1-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)methanesulfonamide?
1,1-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)methanesulfonamide has a molecular weight of 257.28 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)methanesulfonamide is sourced from PubChem (CID 104600287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).