3-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-sulfonamide

C13H20FN3O2S — CID 103300524

IUPAC3-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-sulfonamide
SMILESCN1CCC(CCNS(=O)(=O)c2ncccc2F)CC1
InChIInChI=1S/C13H20FN3O2S/c1-17-9-5-11(6-10-17)4-8-16-20(18,19)13-12(14)3-2-7-15-13/h2-3,7,11,16H,4-6,8-10H2,1H3
InChIKeyDGAYJUSFJSSEEP-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.23
Rot. Bonds5

About 3-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-sulfonamide

3-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-sulfonamide (PubChem CID 103300524) has the molecular formula C13H20FN3O2S and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-sulfonamide
PubChem CID103300524
Molecular FormulaC13H20FN3O2S
Molecular Weight301.39 g/mol
Exact Mass301.13
IUPAC Name3-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-sulfonamide
SMILESCN1CCC(CCNS(=O)(=O)c2ncccc2F)CC1
InChIInChI=1S/C13H20FN3O2S/c1-17-9-5-11(6-10-17)4-8-16-20(18,19)13-12(14)3-2-7-15-13/h2-3,7,11,16H,4-6,8-10H2,1H3
InChIKeyDGAYJUSFJSSEEP-UHFFFAOYSA-N
XLogP1.23
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2-sulfonamide
CID 103299286
3-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2-sulfonamide
CID 103299367
2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]-N-methylethanamine
CID 103302531
N-(2-amino-2-methylpropyl)-3-fluoropyridine-2-sulfonamide
CID 103302638
N-(2-cyclopentylethyl)-3-(ethylamino)pyridine-2-sulfonamide
CID 103304931
2,5-dichloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzenesulfonamide
CID 50875284
N-benzyl-3-fluoropyridine-2-sulfonamide
CID 103299072
3-fluoro-N-[(4-methylphenyl)methyl]pyridine-2-sulfonamide
CID 103299052
N-[2-(dimethylsulfamoyl)ethyl]-3-fluoropyridine-2-sulfonamide
CID 114175143
N-[2-(ethylsulfamoyl)ethyl]-3-fluoropyridine-2-sulfonamide
CID 114175137
N-(2-ethoxyethyl)-3-fluoropyridine-2-sulfonamide
CID 103299268
N-(1-cyclopropylpropan-2-yl)-3-fluoropyridine-2-sulfonamide
CID 103300114

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-sulfonamide?
The IUPAC name of 3-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-sulfonamide (CID 103300524) is 3-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-sulfonamide.
What is the SMILES notation for 3-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-sulfonamide?
The canonical SMILES for 3-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-sulfonamide is CN1CCC(CCNS(=O)(=O)c2ncccc2F)CC1.
What is the InChIKey of 3-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-sulfonamide?
The InChIKey is DGAYJUSFJSSEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O2S/c1-17-9-5-11(6-10-17)4-8-16-20(18,19)13-12(14)3-2-7-15-13/h2-3,7,11,16H,4-6,8-10H2,1H3.
What are the key properties of 3-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-sulfonamide?
3-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-sulfonamide has a molecular weight of 301.39 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-sulfonamide is sourced from PubChem (CID 103300524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).