N-[(4-fluorophenyl)methyl]-N-methyl-2-piperidin-4-ylethanesulfonamide

C15H23FN2O2S — CID 61413367

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-2-piperidin-4-ylethanesulfonamide
SMILESCN(Cc1ccc(F)cc1)S(=O)(=O)CCC1CCNCC1
InChIInChI=1S/C15H23FN2O2S/c1-18(12-14-2-4-15(16)5-3-14)21(19,20)11-8-13-6-9-17-10-7-13/h2-5,13,17H,6-12H2,1H3
InChIKeyQBWWTYVRQPZLAR-UHFFFAOYSA-N
MW314.43 g/mol
LogP1.98
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-N-methyl-2-piperidin-4-ylethanesulfonamide

N-[(4-fluorophenyl)methyl]-N-methyl-2-piperidin-4-ylethanesulfonamide (PubChem CID 61413367) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-2-piperidin-4-ylethanesulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-2-piperidin-4-ylethanesulfonamide
PubChem CID61413367
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-2-piperidin-4-ylethanesulfonamide
SMILESCN(Cc1ccc(F)cc1)S(=O)(=O)CCC1CCNCC1
InChIInChI=1S/C15H23FN2O2S/c1-18(12-14-2-4-15(16)5-3-14)21(19,20)11-8-13-6-9-17-10-7-13/h2-5,13,17H,6-12H2,1H3
InChIKeyQBWWTYVRQPZLAR-UHFFFAOYSA-N
XLogP1.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-3-sulfonamide
CID 65421369
N-(2-hydroxypropyl)-N-methyl-2-piperidin-4-ylethanesulfonamide
CID 55061183
N-[3-(dimethylamino)propyl]-N-methyl-2-piperidin-4-ylethanesulfonamide
CID 63701090
N-[(4-ethylphenyl)methyl]-N-methyl-2-piperidin-4-ylethanamine
CID 115211655
N-[(4-fluorophenyl)methyl]-N-methylpiperazine-1-sulfonamide
CID 54979213
N-(4-fluorophenyl)-2-piperidin-4-ylethanesulfonamide
CID 60892291
N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 19358411
N-methyl-N-(3-methylbutan-2-yl)-2-piperidin-4-ylethanesulfonamide
CID 60890770
N-[(4-bromophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 119929518
1-(4-aminophenyl)-N-[(4-fluorophenyl)methyl]-N-methylmethanesulfonamide
CID 43576201
4-fluoro-N-methyl-N-(2-piperidin-4-ylethyl)benzamide
CID 54945330
N-[(4-fluorophenyl)methyl]-N-methylpropane-2-sulfonamide
CID 61362465

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-2-piperidin-4-ylethanesulfonamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-2-piperidin-4-ylethanesulfonamide (CID 61413367) is N-[(4-fluorophenyl)methyl]-N-methyl-2-piperidin-4-ylethanesulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-2-piperidin-4-ylethanesulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-2-piperidin-4-ylethanesulfonamide is CN(Cc1ccc(F)cc1)S(=O)(=O)CCC1CCNCC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-2-piperidin-4-ylethanesulfonamide?
The InChIKey is QBWWTYVRQPZLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-18(12-14-2-4-15(16)5-3-14)21(19,20)11-8-13-6-9-17-10-7-13/h2-5,13,17H,6-12H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-2-piperidin-4-ylethanesulfonamide?
N-[(4-fluorophenyl)methyl]-N-methyl-2-piperidin-4-ylethanesulfonamide has a molecular weight of 314.43 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methyl-2-piperidin-4-ylethanesulfonamide is sourced from PubChem (CID 61413367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).