3-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-methylbenzenesulfonamide

C15H23FN2O3S — CID 75387065

IUPAC3-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-methylbenzenesulfonamide
SMILESCc1cc(F)cc(S(=O)(=O)NCCCN2CCC(O)CC2)c1
InChIInChI=1S/C15H23FN2O3S/c1-12-9-13(16)11-15(10-12)22(20,21)17-5-2-6-18-7-3-14(19)4-8-18/h9-11,14,17,19H,2-8H2,1H3
InChIKeyGAVRTXDQPWKASW-UHFFFAOYSA-N
MW330.42 g/mol
LogP1.26
Rot. Bonds6

About 3-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-methylbenzenesulfonamide

3-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-methylbenzenesulfonamide (PubChem CID 75387065) has the molecular formula C15H23FN2O3S and a molecular weight of 330.42 g/mol. Its IUPAC name is 3-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-methylbenzenesulfonamide
PubChem CID75387065
Molecular FormulaC15H23FN2O3S
Molecular Weight330.42 g/mol
Exact Mass330.14
IUPAC Name3-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-methylbenzenesulfonamide
SMILESCc1cc(F)cc(S(=O)(=O)NCCCN2CCC(O)CC2)c1
InChIInChI=1S/C15H23FN2O3S/c1-12-9-13(16)11-15(10-12)22(20,21)17-5-2-6-18-7-3-14(19)4-8-18/h9-11,14,17,19H,2-8H2,1H3
InChIKeyGAVRTXDQPWKASW-UHFFFAOYSA-N
XLogP1.26
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-methylbenzenesulfonamide?
The IUPAC name of 3-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-methylbenzenesulfonamide (CID 75387065) is 3-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-methylbenzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-methylbenzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-methylbenzenesulfonamide is Cc1cc(F)cc(S(=O)(=O)NCCCN2CCC(O)CC2)c1.
What is the InChIKey of 3-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-methylbenzenesulfonamide?
The InChIKey is GAVRTXDQPWKASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O3S/c1-12-9-13(16)11-15(10-12)22(20,21)17-5-2-6-18-7-3-14(19)4-8-18/h9-11,14,17,19H,2-8H2,1H3.
What are the key properties of 3-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-methylbenzenesulfonamide?
3-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-methylbenzenesulfonamide has a molecular weight of 330.42 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-methylbenzenesulfonamide is sourced from PubChem (CID 75387065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).