N-(2-ethyl-2-methylsulfanylbutyl)-3-fluoropyridine-2-sulfonamide

C12H19FN2O2S2 — CID 114115952

IUPACN-(2-ethyl-2-methylsulfanylbutyl)-3-fluoropyridine-2-sulfonamide
SMILESCCC(CC)(CNS(=O)(=O)c1ncccc1F)SC
InChIInChI=1S/C12H19FN2O2S2/c1-4-12(5-2,18-3)9-15-19(16,17)11-10(13)7-6-8-14-11/h6-8,15H,4-5,9H2,1-3H3
InChIKeyFWBKKOZFTGRZKG-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.42
Rot. Bonds7

About N-(2-ethyl-2-methylsulfanylbutyl)-3-fluoropyridine-2-sulfonamide

N-(2-ethyl-2-methylsulfanylbutyl)-3-fluoropyridine-2-sulfonamide (PubChem CID 114115952) has the molecular formula C12H19FN2O2S2 and a molecular weight of 306.43 g/mol. Its IUPAC name is N-(2-ethyl-2-methylsulfanylbutyl)-3-fluoropyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(2-ethyl-2-methylsulfanylbutyl)-3-fluoropyridine-2-sulfonamide
PubChem CID114115952
Molecular FormulaC12H19FN2O2S2
Molecular Weight306.43 g/mol
Exact Mass306.09
IUPAC NameN-(2-ethyl-2-methylsulfanylbutyl)-3-fluoropyridine-2-sulfonamide
SMILESCCC(CC)(CNS(=O)(=O)c1ncccc1F)SC
InChIInChI=1S/C12H19FN2O2S2/c1-4-12(5-2,18-3)9-15-19(16,17)11-10(13)7-6-8-14-11/h6-8,15H,4-5,9H2,1-3H3
InChIKeyFWBKKOZFTGRZKG-UHFFFAOYSA-N
XLogP2.42
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-3-fluoropyridine-2-sulfonamide
CID 103302638
N-(2-bromobutyl)-3-fluoropyridine-2-sulfonamide
CID 103308428
3-[(3-fluoro-2-pyridinyl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 114167235
N-(2-ethyl-2-methylsulfanylbutyl)-4-fluorobenzenesulfonamide
CID 113242756
N-(2-ethoxyethyl)-3-fluoropyridine-2-sulfonamide
CID 103299268
N-[2-(ethylsulfamoyl)ethyl]-3-fluoropyridine-2-sulfonamide
CID 114175137
ethyl 2-[(3-fluoro-2-pyridinyl)sulfonylamino]acetate
CID 103299284
N-(2-chloropropyl)-3-fluoropyridine-2-sulfonamide
CID 103308189
3-fluoro-N-[(1-methylsulfanylcyclopentyl)methyl]pyridine-2-sulfonamide
CID 114115960
N-benzyl-3-fluoropyridine-2-sulfonamide
CID 103299072
N-[2-(dimethylsulfamoyl)ethyl]-3-fluoropyridine-2-sulfonamide
CID 114175143
3-fluoro-N-[(4-methylphenyl)methyl]pyridine-2-sulfonamide
CID 103299052

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-methylsulfanylbutyl)-3-fluoropyridine-2-sulfonamide?
The IUPAC name of N-(2-ethyl-2-methylsulfanylbutyl)-3-fluoropyridine-2-sulfonamide (CID 114115952) is N-(2-ethyl-2-methylsulfanylbutyl)-3-fluoropyridine-2-sulfonamide.
What is the SMILES notation for N-(2-ethyl-2-methylsulfanylbutyl)-3-fluoropyridine-2-sulfonamide?
The canonical SMILES for N-(2-ethyl-2-methylsulfanylbutyl)-3-fluoropyridine-2-sulfonamide is CCC(CC)(CNS(=O)(=O)c1ncccc1F)SC.
What is the InChIKey of N-(2-ethyl-2-methylsulfanylbutyl)-3-fluoropyridine-2-sulfonamide?
The InChIKey is FWBKKOZFTGRZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O2S2/c1-4-12(5-2,18-3)9-15-19(16,17)11-10(13)7-6-8-14-11/h6-8,15H,4-5,9H2,1-3H3.
What are the key properties of N-(2-ethyl-2-methylsulfanylbutyl)-3-fluoropyridine-2-sulfonamide?
N-(2-ethyl-2-methylsulfanylbutyl)-3-fluoropyridine-2-sulfonamide has a molecular weight of 306.43 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-methylsulfanylbutyl)-3-fluoropyridine-2-sulfonamide is sourced from PubChem (CID 114115952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).