3-fluoro-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide

C17H20FN3O2S — CID 91624838

IUPAC3-fluoro-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCN(c2cccnc2)CC1)c1cccc(F)c1
InChIInChI=1S/C17H20FN3O2S/c18-15-3-1-5-17(11-15)24(22,23)20-12-14-6-9-21(10-7-14)16-4-2-8-19-13-16/h1-5,8,11,13-14,20H,6-7,9-10,12H2
InChIKeyOPZNUCIENXJBCC-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.42
Rot. Bonds5

About 3-fluoro-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide

3-fluoro-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide (PubChem CID 91624838) has the molecular formula C17H20FN3O2S and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-fluoro-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide
PubChem CID91624838
Molecular FormulaC17H20FN3O2S
Molecular Weight349.43 g/mol
Exact Mass349.13
IUPAC Name3-fluoro-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCN(c2cccnc2)CC1)c1cccc(F)c1
InChIInChI=1S/C17H20FN3O2S/c18-15-3-1-5-17(11-15)24(22,23)20-12-14-6-9-21(10-7-14)16-4-2-8-19-13-16/h1-5,8,11,13-14,20H,6-7,9-10,12H2
InChIKeyOPZNUCIENXJBCC-UHFFFAOYSA-N
XLogP2.42
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-methyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 91624841
3-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 86263506
N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-fluorobenzenesulfonamide
CID 16887715
2-methoxy-4,5-dimethyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 91624844
1-methyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]imidazole-4-sulfonamide
CID 91624852
N-[(1-benzylpiperidin-4-yl)methyl]-3-fluorobenzenesulfonamide
CID 16887794
N-[(4-chlorocyclohexyl)methyl]-3-fluorobenzenesulfonamide
CID 114148380
N-(cyclobutylmethyl)pyridine-3-sulfonamide
CID 47331342
3-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16887867
1-(3-fluorophenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]methanesulfonamide
CID 121108298
3,4-difluoro-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 90521160
3,4-difluoro-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 91814129

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide (CID 91624838) is 3-fluoro-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide is O=S(=O)(NCC1CCN(c2cccnc2)CC1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The InChIKey is OPZNUCIENXJBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2S/c18-15-3-1-5-17(11-15)24(22,23)20-12-14-6-9-21(10-7-14)16-4-2-8-19-13-16/h1-5,8,11,13-14,20H,6-7,9-10,12H2.
What are the key properties of 3-fluoro-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide?
3-fluoro-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide has a molecular weight of 349.43 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 91624838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).