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

C15H23FN2O3S — CID 71911386

IUPAC2-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCN2CCC(O)CC2)c(F)c1
InChIInChI=1S/C15H23FN2O3S/c1-12-3-4-15(14(16)11-12)22(20,21)17-7-2-8-18-9-5-13(19)6-10-18/h3-4,11,13,17,19H,2,5-10H2,1H3
InChIKeyMPVLJRIIPJZAQR-UHFFFAOYSA-N
MW330.42 g/mol
LogP1.26
Rot. Bonds6

About 2-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylbenzenesulfonamide

2-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylbenzenesulfonamide (PubChem CID 71911386) has the molecular formula C15H23FN2O3S and a molecular weight of 330.42 g/mol. Its IUPAC name is 2-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylbenzenesulfonamide
PubChem CID71911386
Molecular FormulaC15H23FN2O3S
Molecular Weight330.42 g/mol
Exact Mass330.14
IUPAC Name2-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCN2CCC(O)CC2)c(F)c1
InChIInChI=1S/C15H23FN2O3S/c1-12-3-4-15(14(16)11-12)22(20,21)17-7-2-8-18-9-5-13(19)6-10-18/h3-4,11,13,17,19H,2,5-10H2,1H3
InChIKeyMPVLJRIIPJZAQR-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 2-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylbenzenesulfonamide?
The IUPAC name of 2-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylbenzenesulfonamide (CID 71911386) is 2-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCCN2CCC(O)CC2)c(F)c1.
What is the InChIKey of 2-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylbenzenesulfonamide?
The InChIKey is MPVLJRIIPJZAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O3S/c1-12-3-4-15(14(16)11-12)22(20,21)17-7-2-8-18-9-5-13(19)6-10-18/h3-4,11,13,17,19H,2,5-10H2,1H3.
What are the key properties of 2-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylbenzenesulfonamide?
2-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-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 2-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 71911386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).