3-fluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide

C13H19FN2O2S — CID 60895184

IUPAC3-fluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCC1CCCNC1)c1cccc(F)c1
InChIInChI=1S/C13H19FN2O2S/c14-12-4-1-5-13(9-12)19(17,18)16-8-6-11-3-2-7-15-10-11/h1,4-5,9,11,15-16H,2-3,6-8,10H2
InChIKeyNFDSVAHNLQWKPG-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.49
Rot. Bonds5

About 3-fluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide

3-fluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide (PubChem CID 60895184) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-fluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
PubChem CID60895184
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name3-fluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCC1CCCNC1)c1cccc(F)c1
InChIInChI=1S/C13H19FN2O2S/c14-12-4-1-5-13(9-12)19(17,18)16-8-6-11-3-2-7-15-10-11/h1,4-5,9,11,15-16H,2-3,6-8,10H2
InChIKeyNFDSVAHNLQWKPG-UHFFFAOYSA-N
XLogP1.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-difluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895192
N-(2-piperidin-3-ylethyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119979230
N-(2-piperidin-3-ylethyl)naphthalene-2-sulfonamide
CID 119979389
N-(2-piperidin-3-ylethyl)pyridine-3-sulfonamide;hydrochloride
CID 119979495
N-(2-piperidin-3-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide;hydrochloride
CID 119979394
4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895182
3-ethylsulfonyl-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 119977092
4-chloro-N-(2-piperidin-3-ylethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 119979324
3-bromo-4-nitro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 119979191
3-(dimethylamino)-4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 119979534
3-bromo-4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 119977436
3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 30170522

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide?
The IUPAC name of 3-fluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide (CID 60895184) is 3-fluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide is O=S(=O)(NCCC1CCCNC1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide?
The InChIKey is NFDSVAHNLQWKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c14-12-4-1-5-13(9-12)19(17,18)16-8-6-11-3-2-7-15-10-11/h1,4-5,9,11,15-16H,2-3,6-8,10H2.
What are the key properties of 3-fluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide?
3-fluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide has a molecular weight of 286.37 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 60895184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).