1-(2-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]methanesulfonamide;hydrochloride

C15H24ClFN2O3S — CID 120896382

IUPAC1-(2-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]methanesulfonamide;hydrochloride
SMILESCOCC1(CNS(=O)(=O)Cc2ccccc2F)CCNCC1.Cl
InChIInChI=1S/C15H23FN2O3S.ClH/c1-21-12-15(6-8-17-9-7-15)11-18-22(19,20)10-13-4-2-3-5-14(13)16;/h2-5,17-18H,6-12H2,1H3;1H
InChIKeyPZBGRMUIOWZQJA-UHFFFAOYSA-N
MW366.89 g/mol
LogP1.68
Rot. Bonds7

About 1-(2-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]methanesulfonamide;hydrochloride

1-(2-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]methanesulfonamide;hydrochloride (PubChem CID 120896382) has the molecular formula C15H24ClFN2O3S and a molecular weight of 366.89 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]methanesulfonamide;hydrochloride
PubChem CID120896382
Molecular FormulaC15H24ClFN2O3S
Molecular Weight366.89 g/mol
Exact Mass366.12
IUPAC Name1-(2-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]methanesulfonamide;hydrochloride
SMILESCOCC1(CNS(=O)(=O)Cc2ccccc2F)CCNCC1.Cl
InChIInChI=1S/C15H23FN2O3S.ClH/c1-21-12-15(6-8-17-9-7-15)11-18-22(19,20)10-13-4-2-3-5-14(13)16;/h2-5,17-18H,6-12H2,1H3;1H
InChIKeyPZBGRMUIOWZQJA-UHFFFAOYSA-N
XLogP1.68
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 120895991
2-(2,6-difluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120891811
2-(2,3-difluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120890498
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylsulfanylbenzenesulfonamide;hydrochloride
CID 120896176
3-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-nitrobenzenesulfonamide
CID 120896281
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide;hydrochloride
CID 120896586
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride
CID 120896450
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-phenylbenzenesulfonamide;hydrochloride
CID 120896472
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]naphthalene-1-sulfonamide;hydrochloride
CID 120896514
3-fluoro-4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride
CID 120896550
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide
CID 120896587
3,5-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 120896329

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]methanesulfonamide;hydrochloride?
The IUPAC name of 1-(2-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]methanesulfonamide;hydrochloride (CID 120896382) is 1-(2-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]methanesulfonamide;hydrochloride?
The canonical SMILES for 1-(2-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]methanesulfonamide;hydrochloride is COCC1(CNS(=O)(=O)Cc2ccccc2F)CCNCC1.Cl.
What is the InChIKey of 1-(2-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]methanesulfonamide;hydrochloride?
The InChIKey is PZBGRMUIOWZQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O3S.ClH/c1-21-12-15(6-8-17-9-7-15)11-18-22(19,20)10-13-4-2-3-5-14(13)16;/h2-5,17-18H,6-12H2,1H3;1H.
What are the key properties of 1-(2-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]methanesulfonamide;hydrochloride?
1-(2-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]methanesulfonamide;hydrochloride has a molecular weight of 366.89 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 120896382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).