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

C14H15FN2O2S — CID 107326525

IUPAC4-fluoro-2,6-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NCc1ccccn1
InChIInChI=1S/C14H15FN2O2S/c1-10-7-12(15)8-11(2)14(10)20(18,19)17-9-13-5-3-4-6-16-13/h3-8,17H,9H2,1-2H3
InChIKeyXNXXPCFHKXDZFV-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.32
Rot. Bonds4

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

4-fluoro-2,6-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 107326525) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-fluoro-2,6-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2,6-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID107326525
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name4-fluoro-2,6-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NCc1ccccn1
InChIInChI=1S/C14H15FN2O2S/c1-10-7-12(15)8-11(2)14(10)20(18,19)17-9-13-5-3-4-6-16-13/h3-8,17H,9H2,1-2H3
InChIKeyXNXXPCFHKXDZFV-UHFFFAOYSA-N
XLogP2.32
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-3,6-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 40734479
6-amino-2,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 43257804
4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 731623
3-amino-5-fluoro-4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 116791368
5-chloro-2-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 110759353
2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 112993014
7-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758903
5-methyl-3-(methylaminomethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 107649220
4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
CID 107326821
4-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 3663787
3-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 16795667
4-fluoro-2,6-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 107326770

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,6-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-2,6-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide (CID 107326525) is 4-fluoro-2,6-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2,6-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-2,6-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide is Cc1cc(F)cc(C)c1S(=O)(=O)NCc1ccccn1.
What is the InChIKey of 4-fluoro-2,6-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is XNXXPCFHKXDZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-10-7-12(15)8-11(2)14(10)20(18,19)17-9-13-5-3-4-6-16-13/h3-8,17H,9H2,1-2H3.
What are the key properties of 4-fluoro-2,6-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
4-fluoro-2,6-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide has a molecular weight of 294.35 g/mol, XLogP of 2.32, 4 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-(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 107326525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).