5-fluoro-N-[(4-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide

C12H11F2NO2S2 — CID 168899096

IUPAC5-fluoro-N-[(4-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide
SMILESCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(F)s1
InChIInChI=1S/C12H11F2NO2S2/c1-15(8-9-2-4-10(13)5-3-9)19(16,17)12-7-6-11(14)18-12/h2-7H,8H2,1H3
InChIKeyKVGPXSAGSDANML-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.85
Rot. Bonds4

About 5-fluoro-N-[(4-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide

5-fluoro-N-[(4-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide (PubChem CID 168899096) has the molecular formula C12H11F2NO2S2 and a molecular weight of 303.36 g/mol. Its IUPAC name is 5-fluoro-N-[(4-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-fluoro-N-[(4-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide
PubChem CID168899096
Molecular FormulaC12H11F2NO2S2
Molecular Weight303.36 g/mol
Exact Mass303.02
IUPAC Name5-fluoro-N-[(4-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide
SMILESCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(F)s1
InChIInChI=1S/C12H11F2NO2S2/c1-15(8-9-2-4-10(13)5-3-9)19(16,17)12-7-6-11(14)18-12/h2-7H,8H2,1H3
InChIKeyKVGPXSAGSDANML-UHFFFAOYSA-N
XLogP2.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(4-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of 5-fluoro-N-[(4-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide (CID 168899096) is 5-fluoro-N-[(4-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-fluoro-N-[(4-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-fluoro-N-[(4-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide is CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(F)s1.
What is the InChIKey of 5-fluoro-N-[(4-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide?
The InChIKey is KVGPXSAGSDANML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO2S2/c1-15(8-9-2-4-10(13)5-3-9)19(16,17)12-7-6-11(14)18-12/h2-7H,8H2,1H3.
What are the key properties of 5-fluoro-N-[(4-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide?
5-fluoro-N-[(4-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide has a molecular weight of 303.36 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(4-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 168899096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).