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

C12H19FN4O2S — CID 103299367

IUPAC3-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2-sulfonamide
SMILESCN1CCN(CCNS(=O)(=O)c2ncccc2F)CC1
InChIInChI=1S/C12H19FN4O2S/c1-16-7-9-17(10-8-16)6-5-15-20(18,19)12-11(13)3-2-4-14-12/h2-4,15H,5-10H2,1H3
InChIKeyKFBQJEUBNULQQB-UHFFFAOYSA-N
MW302.37 g/mol
LogP-0.25
Rot. Bonds5

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

3-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2-sulfonamide (PubChem CID 103299367) has the molecular formula C12H19FN4O2S and a molecular weight of 302.37 g/mol. Its IUPAC name is 3-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2-sulfonamide
PubChem CID103299367
Molecular FormulaC12H19FN4O2S
Molecular Weight302.37 g/mol
Exact Mass302.12
IUPAC Name3-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2-sulfonamide
SMILESCN1CCN(CCNS(=O)(=O)c2ncccc2F)CC1
InChIInChI=1S/C12H19FN4O2S/c1-16-7-9-17(10-8-16)6-5-15-20(18,19)12-11(13)3-2-4-14-12/h2-4,15H,5-10H2,1H3
InChIKeyKFBQJEUBNULQQB-UHFFFAOYSA-N
XLogP-0.25
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 676049
5-Aminopyridine-2-sulfonamide
CID 22313850
Pyridine sulfonamide
CID 12000791
3-(Piperidin-1-ylsulphonyl)pyridine
CID 3623948
4-Ethyl-3,4-Dihydro-2h-Pyrido[3,2-E][1,2,4]thiadiazine 1,1-Dioxide
CID 10013456
4-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 674996
4-fluoro-N-[2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
CID 3238186
N-(pyridin-2-ylmethyl)pyridine-2-sulfonamide
CID 24761729
4-[4-(2-Fluorophenyl)piperazin-1-yl]pyridine-3-sulfonamide
CID 73351067
4-[4-(4-Fluorophenyl)piperazin-1-yl]pyridine-3-sulfonamide
CID 73355562
n-(Pyridin-3-yl)pyridine-3-sulfonamide
CID 221243
3-Aminopyridine-2-sulfonamide
CID 14943702

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2-sulfonamide?
The IUPAC name of 3-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2-sulfonamide (CID 103299367) is 3-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2-sulfonamide.
What is the SMILES notation for 3-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2-sulfonamide?
The canonical SMILES for 3-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2-sulfonamide is CN1CCN(CCNS(=O)(=O)c2ncccc2F)CC1.
What is the InChIKey of 3-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2-sulfonamide?
The InChIKey is KFBQJEUBNULQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4O2S/c1-16-7-9-17(10-8-16)6-5-15-20(18,19)12-11(13)3-2-4-14-12/h2-4,15H,5-10H2,1H3.
What are the key properties of 3-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2-sulfonamide?
3-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2-sulfonamide has a molecular weight of 302.37 g/mol, XLogP of -0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2-sulfonamide is sourced from PubChem (CID 103299367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).