4-fluoro-2,6-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide

C15H17FN2O2S — CID 107326770

IUPAC4-fluoro-2,6-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NCCc1ccncc1
InChIInChI=1S/C15H17FN2O2S/c1-11-9-14(16)10-12(2)15(11)21(19,20)18-8-5-13-3-6-17-7-4-13/h3-4,6-7,9-10,18H,5,8H2,1-2H3
InChIKeyQXMAJOKEFVKJFX-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.36
Rot. Bonds5

About 4-fluoro-2,6-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide

4-fluoro-2,6-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide (PubChem CID 107326770) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-fluoro-2,6-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2,6-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
PubChem CID107326770
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name4-fluoro-2,6-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NCCc1ccncc1
InChIInChI=1S/C15H17FN2O2S/c1-11-9-14(16)10-12(2)15(11)21(19,20)18-8-5-13-3-6-17-7-4-13/h3-4,6-7,9-10,18H,5,8H2,1-2H3
InChIKeyQXMAJOKEFVKJFX-UHFFFAOYSA-N
XLogP2.36
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
CID 107326821
3-amino-4-fluoro-5-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 115421303
5-amino-2-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 60914924
4-chloro-2,5-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 3747457
4-fluoro-2,6-dimethyl-N-octylbenzenesulfonamide
CID 107327354
4-fluoro-N,2,6-trimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 107326739
N-[2-(cyclopenten-1-yl)ethyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 106150784
4-amino-3-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 82844779
N-[2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 107326734
N-[2-(diethylamino)ethyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326452
N-[2-(dimethylsulfamoyl)ethyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 106336296
N-(2-pyridin-4-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3758461

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,6-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-2,6-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide (CID 107326770) is 4-fluoro-2,6-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2,6-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-2,6-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide is Cc1cc(F)cc(C)c1S(=O)(=O)NCCc1ccncc1.
What is the InChIKey of 4-fluoro-2,6-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The InChIKey is QXMAJOKEFVKJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-11-9-14(16)10-12(2)15(11)21(19,20)18-8-5-13-3-6-17-7-4-13/h3-4,6-7,9-10,18H,5,8H2,1-2H3.
What are the key properties of 4-fluoro-2,6-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
4-fluoro-2,6-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide has a molecular weight of 308.38 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,6-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 107326770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).