1-(3-fluorophenyl)-N-piperidin-4-ylmethanesulfonamide

C12H17FN2O2S — CID 118165133

IUPAC1-(3-fluorophenyl)-N-piperidin-4-ylmethanesulfonamide
SMILESO=S(=O)(Cc1cccc(F)c1)NC1CCNCC1
InChIInChI=1S/C12H17FN2O2S/c13-11-3-1-2-10(8-11)9-18(16,17)15-12-4-6-14-7-5-12/h1-3,8,12,14-15H,4-7,9H2
InChIKeyJOIAGZNVDQOKJY-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.00
Rot. Bonds4

About 1-(3-fluorophenyl)-N-piperidin-4-ylmethanesulfonamide

1-(3-fluorophenyl)-N-piperidin-4-ylmethanesulfonamide (PubChem CID 118165133) has the molecular formula C12H17FN2O2S and a molecular weight of 272.34 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-piperidin-4-ylmethanesulfonamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-piperidin-4-ylmethanesulfonamide
PubChem CID118165133
Molecular FormulaC12H17FN2O2S
Molecular Weight272.34 g/mol
Exact Mass272.10
IUPAC Name1-(3-fluorophenyl)-N-piperidin-4-ylmethanesulfonamide
SMILESO=S(=O)(Cc1cccc(F)c1)NC1CCNCC1
InChIInChI=1S/C12H17FN2O2S/c13-11-3-1-2-10(8-11)9-18(16,17)15-12-4-6-14-7-5-12/h1-3,8,12,14-15H,4-7,9H2
InChIKeyJOIAGZNVDQOKJY-UHFFFAOYSA-N
XLogP1.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-piperidin-4-ylmethanesulfonamide?
The IUPAC name of 1-(3-fluorophenyl)-N-piperidin-4-ylmethanesulfonamide (CID 118165133) is 1-(3-fluorophenyl)-N-piperidin-4-ylmethanesulfonamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-piperidin-4-ylmethanesulfonamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-piperidin-4-ylmethanesulfonamide is O=S(=O)(Cc1cccc(F)c1)NC1CCNCC1.
What is the InChIKey of 1-(3-fluorophenyl)-N-piperidin-4-ylmethanesulfonamide?
The InChIKey is JOIAGZNVDQOKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2S/c13-11-3-1-2-10(8-11)9-18(16,17)15-12-4-6-14-7-5-12/h1-3,8,12,14-15H,4-7,9H2.
What are the key properties of 1-(3-fluorophenyl)-N-piperidin-4-ylmethanesulfonamide?
1-(3-fluorophenyl)-N-piperidin-4-ylmethanesulfonamide has a molecular weight of 272.34 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-piperidin-4-ylmethanesulfonamide is sourced from PubChem (CID 118165133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).