1-(2,4-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride

C12H17ClF2N2O2S — CID 119979918

IUPAC1-(2,4-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
SMILESCNC1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1.Cl
InChIInChI=1S/C12H16F2N2O2S.ClH/c1-15-10-4-6-16(7-5-10)19(17,18)12-3-2-9(13)8-11(12)14;/h2-3,8,10,15H,4-7H2,1H3;1H
InChIKeyNLDXSYHYFGBYHM-UHFFFAOYSA-N
MW326.80 g/mol
LogP1.76
Rot. Bonds3

About 1-(2,4-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride

1-(2,4-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride (PubChem CID 119979918) has the molecular formula C12H17ClF2N2O2S and a molecular weight of 326.80 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
PubChem CID119979918
Molecular FormulaC12H17ClF2N2O2S
Molecular Weight326.80 g/mol
Exact Mass326.07
IUPAC Name1-(2,4-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
SMILESCNC1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1.Cl
InChIInChI=1S/C12H16F2N2O2S.ClH/c1-15-10-4-6-16(7-5-10)19(17,18)12-3-2-9(13)8-11(12)14;/h2-3,8,10,15H,4-7H2,1H3;1H
InChIKeyNLDXSYHYFGBYHM-UHFFFAOYSA-N
XLogP1.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.80
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 63248386
1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-N-methylpiperidin-4-amine
CID 119980033
1-(4-chloro-2-fluorophenyl)sulfonyl-N-methylpyrrolidin-3-amine;hydrochloride
CID 119963060
1-(2,4-difluorophenyl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide
CID 60599241
1-(2,4-difluorophenyl)sulfonyl-4-methylsulfonylpiperazine
CID 19684016
1-(2,4-difluorophenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine
CID 90590341
4-cyclopropylidene-1-(2,4-difluorophenyl)sulfonylpiperidine
CID 121187241
1-(2,4-difluorophenyl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide
CID 77038290
4-(2,4-difluorophenyl)sulfonyl-N-methylpiperazine-1-carbothioamide
CID 9096997
(2R)-N-cyclopropyl-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 8771468
1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979920
3-(2,4-difluorophenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 115314201

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-(2,4-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride (CID 119979918) is 1-(2,4-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-(2,4-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-(2,4-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride is CNC1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1.Cl.
What is the InChIKey of 1-(2,4-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride?
The InChIKey is NLDXSYHYFGBYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2S.ClH/c1-15-10-4-6-16(7-5-10)19(17,18)12-3-2-9(13)8-11(12)14;/h2-3,8,10,15H,4-7H2,1H3;1H.
What are the key properties of 1-(2,4-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride?
1-(2,4-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride has a molecular weight of 326.80 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 119979918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).