N-(3,4-difluorophenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide

C13H19F2N3O2S — CID 106060062

IUPACN-(3,4-difluorophenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCNCC1CCN(S(=O)(=O)Nc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C13H19F2N3O2S/c1-16-9-10-4-6-18(7-5-10)21(19,20)17-11-2-3-12(14)13(15)8-11/h2-3,8,10,16-17H,4-7,9H2,1H3
InChIKeyQRJXQTAHAOEVAZ-UHFFFAOYSA-N
MW319.38 g/mol
LogP1.55
Rot. Bonds5

About N-(3,4-difluorophenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide

N-(3,4-difluorophenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide (PubChem CID 106060062) has the molecular formula C13H19F2N3O2S and a molecular weight of 319.38 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
PubChem CID106060062
Molecular FormulaC13H19F2N3O2S
Molecular Weight319.38 g/mol
Exact Mass319.12
IUPAC NameN-(3,4-difluorophenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCNCC1CCN(S(=O)(=O)Nc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C13H19F2N3O2S/c1-16-9-10-4-6-18(7-5-10)21(19,20)17-11-2-3-12(14)13(15)8-11/h2-3,8,10,16-17H,4-7,9H2,1H3
InChIKeyQRJXQTAHAOEVAZ-UHFFFAOYSA-N
XLogP1.55
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluoro-3-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106056160
4-(methylaminomethyl)-N-(4-methylsulfanylphenyl)piperidine-1-sulfonamide
CID 106057817
N-(3-bromo-4-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106064498
N-(3-fluoro-5-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106070511
4-(aminomethyl)-N-(3-bromo-4-fluorophenyl)piperidine-1-sulfonamide
CID 106078254
1-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 119978268
1-[1-(5-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 120894056
1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 63248386
N-[3-(aminomethyl)-4-fluorophenyl]-4-methylpiperidine-1-sulfonamide
CID 62316606
1-[1-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 119978495
1-[1-(3,4-difluorophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 61204741
4-(methylaminomethyl)-N-pyridazin-3-ylpiperidine-1-sulfonamide
CID 106084219

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide?
The IUPAC name of N-(3,4-difluorophenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide (CID 106060062) is N-(3,4-difluorophenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(3,4-difluorophenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide is CNCC1CCN(S(=O)(=O)Nc2ccc(F)c(F)c2)CC1.
What is the InChIKey of N-(3,4-difluorophenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide?
The InChIKey is QRJXQTAHAOEVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3O2S/c1-16-9-10-4-6-18(7-5-10)21(19,20)17-11-2-3-12(14)13(15)8-11/h2-3,8,10,16-17H,4-7,9H2,1H3.
What are the key properties of N-(3,4-difluorophenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide?
N-(3,4-difluorophenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide has a molecular weight of 319.38 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106060062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).