4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide

C12H11FN2O2S — CID 106934928

IUPAC4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
SMILESCN(c1ccncc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H11FN2O2S/c1-15(11-6-8-14-9-7-11)18(16,17)12-4-2-10(13)3-5-12/h2-9H,1H3
InChIKeyHMPZTOVGXLLJDX-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.05
Rot. Bonds3

About 4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide

4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide (PubChem CID 106934928) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
PubChem CID106934928
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Name4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
SMILESCN(c1ccncc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H11FN2O2S/c1-15(11-6-8-14-9-7-11)18(16,17)12-4-2-10(13)3-5-12/h2-9H,1H3
InChIKeyHMPZTOVGXLLJDX-UHFFFAOYSA-N
XLogP2.05
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 100502341
3-amino-4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934493
N-(4-fluorophenyl)-N-methyl-4-methylsulfanylbenzenesulfonamide
CID 49189224
N-methyl-4-(methylaminomethyl)-N-pyridin-4-ylbenzenesulfonamide
CID 106936304
6-chloro-N-(4-fluorophenyl)-N-methylpyridine-3-sulfonamide
CID 47310666
4-fluoro-2-[methyl(pyridin-4-yl)sulfamoyl]benzoic acid
CID 106934695
N-(2,6-difluorophenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 47359938
4-fluoro-N-hydroxy-N-methylbenzenesulfonamide
CID 130971080
N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 800890
2-amino-6-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934446
3-amino-N,4,5-trimethyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934458
N-(3-amino-4-chlorophenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 39457127

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide (CID 106934928) is 4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide is CN(c1ccncc1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide?
The InChIKey is HMPZTOVGXLLJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c1-15(11-6-8-14-9-7-11)18(16,17)12-4-2-10(13)3-5-12/h2-9H,1H3.
What are the key properties of 4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide?
4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide has a molecular weight of 266.30 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide is sourced from PubChem (CID 106934928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).