N-ethyl-4-[(4-fluorophenyl)-hydroxymethyl]-N-methylpiperidine-1-sulfonamide

C15H23FN2O3S — CID 71911338

IUPACN-ethyl-4-[(4-fluorophenyl)-hydroxymethyl]-N-methylpiperidine-1-sulfonamide
SMILESCCN(C)S(=O)(=O)N1CCC(C(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H23FN2O3S/c1-3-17(2)22(20,21)18-10-8-13(9-11-18)15(19)12-4-6-14(16)7-5-12/h4-7,13,15,19H,3,8-11H2,1-2H3
InChIKeyHTRWYECIZBBRAF-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.77
Rot. Bonds5

About N-ethyl-4-[(4-fluorophenyl)-hydroxymethyl]-N-methylpiperidine-1-sulfonamide

N-ethyl-4-[(4-fluorophenyl)-hydroxymethyl]-N-methylpiperidine-1-sulfonamide (PubChem CID 71911338) has the molecular formula C15H23FN2O3S and a molecular weight of 330.43 g/mol. Its IUPAC name is N-ethyl-4-[(4-fluorophenyl)-hydroxymethyl]-N-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-4-[(4-fluorophenyl)-hydroxymethyl]-N-methylpiperidine-1-sulfonamide
PubChem CID71911338
Molecular FormulaC15H23FN2O3S
Molecular Weight330.43 g/mol
Exact Mass330.14
IUPAC NameN-ethyl-4-[(4-fluorophenyl)-hydroxymethyl]-N-methylpiperidine-1-sulfonamide
SMILESCCN(C)S(=O)(=O)N1CCC(C(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H23FN2O3S/c1-3-17(2)22(20,21)18-10-8-13(9-11-18)15(19)12-4-6-14(16)7-5-12/h4-7,13,15,19H,3,8-11H2,1-2H3
InChIKeyHTRWYECIZBBRAF-UHFFFAOYSA-N
XLogP1.77
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(4-fluorophenyl)-hydroxymethyl]-N-methylpiperidine-1-sulfonamide?
The IUPAC name of N-ethyl-4-[(4-fluorophenyl)-hydroxymethyl]-N-methylpiperidine-1-sulfonamide (CID 71911338) is N-ethyl-4-[(4-fluorophenyl)-hydroxymethyl]-N-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-ethyl-4-[(4-fluorophenyl)-hydroxymethyl]-N-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-ethyl-4-[(4-fluorophenyl)-hydroxymethyl]-N-methylpiperidine-1-sulfonamide is CCN(C)S(=O)(=O)N1CCC(C(O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-ethyl-4-[(4-fluorophenyl)-hydroxymethyl]-N-methylpiperidine-1-sulfonamide?
The InChIKey is HTRWYECIZBBRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O3S/c1-3-17(2)22(20,21)18-10-8-13(9-11-18)15(19)12-4-6-14(16)7-5-12/h4-7,13,15,19H,3,8-11H2,1-2H3.
What are the key properties of N-ethyl-4-[(4-fluorophenyl)-hydroxymethyl]-N-methylpiperidine-1-sulfonamide?
N-ethyl-4-[(4-fluorophenyl)-hydroxymethyl]-N-methylpiperidine-1-sulfonamide has a molecular weight of 330.43 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(4-fluorophenyl)-hydroxymethyl]-N-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 71911338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).