N-[4-[4-(ethylaminomethyl)piperidin-1-yl]sulfonyl-2-fluorophenyl]methanesulfonamide;hydrochloride

C15H25ClFN3O4S2 — CID 119990495

IUPACN-[4-[4-(ethylaminomethyl)piperidin-1-yl]sulfonyl-2-fluorophenyl]methanesulfonamide;hydrochloride
SMILESCCNCC1CCN(S(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)CC1.Cl
InChIInChI=1S/C15H24FN3O4S2.ClH/c1-3-17-11-12-6-8-19(9-7-12)25(22,23)13-4-5-15(14(16)10-13)18-24(2,20)21;/h4-5,10,12,17-18H,3,6-9,11H2,1-2H3;1H
InChIKeySXPDFIOSZWKSOL-UHFFFAOYSA-N
MW429.97 g/mol
LogP1.63
Rot. Bonds7

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

N-[4-[4-(ethylaminomethyl)piperidin-1-yl]sulfonyl-2-fluorophenyl]methanesulfonamide;hydrochloride (PubChem CID 119990495) has the molecular formula C15H25ClFN3O4S2 and a molecular weight of 429.97 g/mol. Its IUPAC name is N-[4-[4-(ethylaminomethyl)piperidin-1-yl]sulfonyl-2-fluorophenyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[4-(ethylaminomethyl)piperidin-1-yl]sulfonyl-2-fluorophenyl]methanesulfonamide;hydrochloride
PubChem CID119990495
Molecular FormulaC15H25ClFN3O4S2
Molecular Weight429.97 g/mol
Exact Mass429.10
IUPAC NameN-[4-[4-(ethylaminomethyl)piperidin-1-yl]sulfonyl-2-fluorophenyl]methanesulfonamide;hydrochloride
SMILESCCNCC1CCN(S(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)CC1.Cl
InChIInChI=1S/C15H24FN3O4S2.ClH/c1-3-17-11-12-6-8-19(9-7-12)25(22,23)13-4-5-15(14(16)10-13)18-24(2,20)21;/h4-5,10,12,17-18H,3,6-9,11H2,1-2H3;1H
InChIKeySXPDFIOSZWKSOL-UHFFFAOYSA-N
XLogP1.63
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.97
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[4-(ethylaminomethyl)piperidin-1-yl]sulfonyl-2-fluorophenyl]methanesulfonamide;hydrochloride with MolForge

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Related Compounds

N-[[1-(4-bromo-3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990644
N-[[1-[3-fluoro-4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]ethanamine
CID 120711972
N-[[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990721
N-[[1-(3-chloro-4-methylsulfanylphenyl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 120712006
N-[2-[4-(ethylaminomethyl)piperidine-1-carbonyl]-4-fluorophenyl]methanesulfonamide;hydrochloride
CID 119644374
5-[4-(ethylaminomethyl)piperidin-1-yl]sulfonyl-2-methylisoindole-1,3-dione
CID 119990661
6-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylchromen-2-one;hydrochloride
CID 119990207
N-[[1-(4-butan-2-ylphenyl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990196
N-[4-[3-(1-aminoethyl)piperidin-1-yl]sulfonyl-2-fluorophenyl]methanesulfonamide
CID 119984443
7-[4-(ethylaminomethyl)piperidin-1-yl]sulfonyl-3,4-dihydro-2H-isoquinolin-1-one
CID 119990641
2-[1-(4-bromo-3-fluorophenyl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120718475
N-[[1-(2-bromo-4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990532

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(ethylaminomethyl)piperidin-1-yl]sulfonyl-2-fluorophenyl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[4-[4-(ethylaminomethyl)piperidin-1-yl]sulfonyl-2-fluorophenyl]methanesulfonamide;hydrochloride (CID 119990495) is N-[4-[4-(ethylaminomethyl)piperidin-1-yl]sulfonyl-2-fluorophenyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[4-[4-(ethylaminomethyl)piperidin-1-yl]sulfonyl-2-fluorophenyl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[4-[4-(ethylaminomethyl)piperidin-1-yl]sulfonyl-2-fluorophenyl]methanesulfonamide;hydrochloride is CCNCC1CCN(S(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)CC1.Cl.
What is the InChIKey of N-[4-[4-(ethylaminomethyl)piperidin-1-yl]sulfonyl-2-fluorophenyl]methanesulfonamide;hydrochloride?
The InChIKey is SXPDFIOSZWKSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O4S2.ClH/c1-3-17-11-12-6-8-19(9-7-12)25(22,23)13-4-5-15(14(16)10-13)18-24(2,20)21;/h4-5,10,12,17-18H,3,6-9,11H2,1-2H3;1H.
What are the key properties of N-[4-[4-(ethylaminomethyl)piperidin-1-yl]sulfonyl-2-fluorophenyl]methanesulfonamide;hydrochloride?
N-[4-[4-(ethylaminomethyl)piperidin-1-yl]sulfonyl-2-fluorophenyl]methanesulfonamide;hydrochloride has a molecular weight of 429.97 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(ethylaminomethyl)piperidin-1-yl]sulfonyl-2-fluorophenyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 119990495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).