2-[(4-fluorophenyl)sulfonylmethyl]thiophene

C11H9FO2S2 — CID 64716484

IUPAC2-[(4-fluorophenyl)sulfonylmethyl]thiophene
SMILESO=S(=O)(Cc1cccs1)c1ccc(F)cc1
InChIInChI=1S/C11H9FO2S2/c12-9-3-5-11(6-4-9)16(13,14)8-10-2-1-7-15-10/h1-7H,8H2
InChIKeyCANCSVXWBGCHPA-UHFFFAOYSA-N
MW256.32 g/mol
LogP2.86
Rot. Bonds3

About 2-[(4-fluorophenyl)sulfonylmethyl]thiophene

2-[(4-fluorophenyl)sulfonylmethyl]thiophene (PubChem CID 64716484) has the molecular formula C11H9FO2S2 and a molecular weight of 256.32 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonylmethyl]thiophene.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonylmethyl]thiophene
PubChem CID64716484
Molecular FormulaC11H9FO2S2
Molecular Weight256.32 g/mol
Exact Mass256.00
IUPAC Name2-[(4-fluorophenyl)sulfonylmethyl]thiophene
SMILESO=S(=O)(Cc1cccs1)c1ccc(F)cc1
InChIInChI=1S/C11H9FO2S2/c12-9-3-5-11(6-4-9)16(13,14)8-10-2-1-7-15-10/h1-7H,8H2
InChIKeyCANCSVXWBGCHPA-UHFFFAOYSA-N
XLogP2.86
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-5-(thiophen-2-ylmethylsulfonyl)aniline
CID 81184049
2-chloro-3-fluoro-5-(thiophen-2-ylmethylsulfonyl)benzoic acid
CID 81461883
1-fluoro-2-[(4-fluorophenyl)sulfonylmethyl]benzene
CID 60777072
2-methyl-3-(thiophen-2-ylmethylsulfonyl)thiophene
CID 91665924
[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]azanium
CID 9079080
2,4-difluoro-1-[(4-fluorophenyl)sulfonylmethyl]benzene
CID 64717962
2-methyl-3-(thiophen-2-ylmethylsulfonyl)aniline
CID 81190653
3-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 38562542
3-[(4-fluorophenyl)sulfonylmethyl]aniline
CID 43382293
4-fluoro-N-phenyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzenesulfonamide
CID 42858562
4-[(4-fluorophenyl)sulfonylamino]-N-(2-thiophen-2-ylethyl)benzamide
CID 27770451
2-ethyl-4-[(4-fluorophenyl)sulfonylmethyl]-1,3-thiazole
CID 64717531

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonylmethyl]thiophene?
The IUPAC name of 2-[(4-fluorophenyl)sulfonylmethyl]thiophene (CID 64716484) is 2-[(4-fluorophenyl)sulfonylmethyl]thiophene.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonylmethyl]thiophene?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonylmethyl]thiophene is O=S(=O)(Cc1cccs1)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonylmethyl]thiophene?
The InChIKey is CANCSVXWBGCHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FO2S2/c12-9-3-5-11(6-4-9)16(13,14)8-10-2-1-7-15-10/h1-7H,8H2.
What are the key properties of 2-[(4-fluorophenyl)sulfonylmethyl]thiophene?
2-[(4-fluorophenyl)sulfonylmethyl]thiophene has a molecular weight of 256.32 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonylmethyl]thiophene is sourced from PubChem (CID 64716484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).