2,6-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide

C12H11F2NO3S2 — CID 52992630

IUPAC2,6-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(O)c1ccsc1)c1c(F)cccc1F
InChIInChI=1S/C12H11F2NO3S2/c13-9-2-1-3-10(14)12(9)20(17,18)15-6-11(16)8-4-5-19-7-8/h1-5,7,11,15-16H,6H2
InChIKeySYMSEVAKDLEKET-UHFFFAOYSA-N
MW319.35 g/mol
LogP2.04
Rot. Bonds5

About 2,6-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide

2,6-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide (PubChem CID 52992630) has the molecular formula C12H11F2NO3S2 and a molecular weight of 319.35 g/mol. Its IUPAC name is 2,6-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
PubChem CID52992630
Molecular FormulaC12H11F2NO3S2
Molecular Weight319.35 g/mol
Exact Mass319.01
IUPAC Name2,6-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(O)c1ccsc1)c1c(F)cccc1F
InChIInChI=1S/C12H11F2NO3S2/c13-9-2-1-3-10(14)12(9)20(17,18)15-6-11(16)8-4-5-19-7-8/h1-5,7,11,15-16H,6H2
InChIKeySYMSEVAKDLEKET-UHFFFAOYSA-N
XLogP2.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide (CID 52992630) is 2,6-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide is O=S(=O)(NCC(O)c1ccsc1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide?
The InChIKey is SYMSEVAKDLEKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO3S2/c13-9-2-1-3-10(14)12(9)20(17,18)15-6-11(16)8-4-5-19-7-8/h1-5,7,11,15-16H,6H2.
What are the key properties of 2,6-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide?
2,6-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide has a molecular weight of 319.35 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 52992630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).