5-fluoro-N-methyl-N-(piperidin-2-ylmethyl)pyridine-3-sulfonamide

C12H18FN3O2S — CID 106630495

IUPAC5-fluoro-N-methyl-N-(piperidin-2-ylmethyl)pyridine-3-sulfonamide
SMILESCN(CC1CCCCN1)S(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C12H18FN3O2S/c1-16(9-11-4-2-3-5-15-11)19(17,18)12-6-10(13)7-14-8-12/h6-8,11,15H,2-5,9H2,1H3
InChIKeySGRCIOPAKJZEDP-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.98
Rot. Bonds4

About 5-fluoro-N-methyl-N-(piperidin-2-ylmethyl)pyridine-3-sulfonamide

5-fluoro-N-methyl-N-(piperidin-2-ylmethyl)pyridine-3-sulfonamide (PubChem CID 106630495) has the molecular formula C12H18FN3O2S and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-fluoro-N-methyl-N-(piperidin-2-ylmethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-fluoro-N-methyl-N-(piperidin-2-ylmethyl)pyridine-3-sulfonamide
PubChem CID106630495
Molecular FormulaC12H18FN3O2S
Molecular Weight287.36 g/mol
Exact Mass287.11
IUPAC Name5-fluoro-N-methyl-N-(piperidin-2-ylmethyl)pyridine-3-sulfonamide
SMILESCN(CC1CCCCN1)S(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C12H18FN3O2S/c1-16(9-11-4-2-3-5-15-11)19(17,18)12-6-10(13)7-14-8-12/h6-8,11,15H,2-5,9H2,1H3
InChIKeySGRCIOPAKJZEDP-UHFFFAOYSA-N
XLogP0.98
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,3,5-trimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607033
2-fluoro-N,5-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630409
3,5-difluoro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607508
3-acetyl-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630402
N-(2-bromoethyl)-5-fluoro-N-methylpyridine-3-sulfonamide
CID 80669199
3-chloro-2-fluoro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630423
2-chloro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630491
N-methyl-4-nitro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607399
N-methyl-4-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607107
4-hydroxy-N-methyl-3-nitro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607126
4-bromo-2-chloro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630528
N,4-dimethyl-3-nitro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106606992

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-N-(piperidin-2-ylmethyl)pyridine-3-sulfonamide?
The IUPAC name of 5-fluoro-N-methyl-N-(piperidin-2-ylmethyl)pyridine-3-sulfonamide (CID 106630495) is 5-fluoro-N-methyl-N-(piperidin-2-ylmethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-fluoro-N-methyl-N-(piperidin-2-ylmethyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-fluoro-N-methyl-N-(piperidin-2-ylmethyl)pyridine-3-sulfonamide is CN(CC1CCCCN1)S(=O)(=O)c1cncc(F)c1.
What is the InChIKey of 5-fluoro-N-methyl-N-(piperidin-2-ylmethyl)pyridine-3-sulfonamide?
The InChIKey is SGRCIOPAKJZEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O2S/c1-16(9-11-4-2-3-5-15-11)19(17,18)12-6-10(13)7-14-8-12/h6-8,11,15H,2-5,9H2,1H3.
What are the key properties of 5-fluoro-N-methyl-N-(piperidin-2-ylmethyl)pyridine-3-sulfonamide?
5-fluoro-N-methyl-N-(piperidin-2-ylmethyl)pyridine-3-sulfonamide has a molecular weight of 287.36 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-N-(piperidin-2-ylmethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 106630495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).