N-(2,6-diethylphenyl)-3-fluoropyridine-2-sulfonamide

C15H17FN2O2S — CID 103299092

IUPACN-(2,6-diethylphenyl)-3-fluoropyridine-2-sulfonamide
SMILESCCc1cccc(CC)c1NS(=O)(=O)c1ncccc1F
InChIInChI=1S/C15H17FN2O2S/c1-3-11-7-5-8-12(4-2)14(11)18-21(19,20)15-13(16)9-6-10-17-15/h5-10,18H,3-4H2,1-2H3
InChIKeyIICLJOFTSAVCFB-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.15
Rot. Bonds5

About N-(2,6-diethylphenyl)-3-fluoropyridine-2-sulfonamide

N-(2,6-diethylphenyl)-3-fluoropyridine-2-sulfonamide (PubChem CID 103299092) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-3-fluoropyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-3-fluoropyridine-2-sulfonamide
PubChem CID103299092
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC NameN-(2,6-diethylphenyl)-3-fluoropyridine-2-sulfonamide
SMILESCCc1cccc(CC)c1NS(=O)(=O)c1ncccc1F
InChIInChI=1S/C15H17FN2O2S/c1-3-11-7-5-8-12(4-2)14(11)18-21(19,20)15-13(16)9-6-10-17-15/h5-10,18H,3-4H2,1-2H3
InChIKeyIICLJOFTSAVCFB-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-3-fluoropyridine-2-sulfonamide?
The IUPAC name of N-(2,6-diethylphenyl)-3-fluoropyridine-2-sulfonamide (CID 103299092) is N-(2,6-diethylphenyl)-3-fluoropyridine-2-sulfonamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-3-fluoropyridine-2-sulfonamide?
The canonical SMILES for N-(2,6-diethylphenyl)-3-fluoropyridine-2-sulfonamide is CCc1cccc(CC)c1NS(=O)(=O)c1ncccc1F.
What is the InChIKey of N-(2,6-diethylphenyl)-3-fluoropyridine-2-sulfonamide?
The InChIKey is IICLJOFTSAVCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-3-11-7-5-8-12(4-2)14(11)18-21(19,20)15-13(16)9-6-10-17-15/h5-10,18H,3-4H2,1-2H3.
What are the key properties of N-(2,6-diethylphenyl)-3-fluoropyridine-2-sulfonamide?
N-(2,6-diethylphenyl)-3-fluoropyridine-2-sulfonamide has a molecular weight of 308.38 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-3-fluoropyridine-2-sulfonamide is sourced from PubChem (CID 103299092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).