1-(2,5-difluorophenyl)sulfonyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride

C16H24ClF2N3O3S — CID 120827948

IUPAC1-(2,5-difluorophenyl)sulfonyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1.Cl
InChIInChI=1S/C16H23F2N3O3S.ClH/c1-11(19-2)10-20-16(22)12-5-7-21(8-6-12)25(23,24)15-9-13(17)3-4-14(15)18;/h3-4,9,11-12,19H,5-8,10H2,1-2H3,(H,20,22);1H
InChIKeyCSFYGVDXZBKYFK-UHFFFAOYSA-N
MW411.90 g/mol
LogP1.51
Rot. Bonds6

About 1-(2,5-difluorophenyl)sulfonyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride

1-(2,5-difluorophenyl)sulfonyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 120827948) has the molecular formula C16H24ClF2N3O3S and a molecular weight of 411.90 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)sulfonyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)sulfonyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride
PubChem CID120827948
Molecular FormulaC16H24ClF2N3O3S
Molecular Weight411.90 g/mol
Exact Mass411.12
IUPAC Name1-(2,5-difluorophenyl)sulfonyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1.Cl
InChIInChI=1S/C16H23F2N3O3S.ClH/c1-11(19-2)10-20-16(22)12-5-7-21(8-6-12)25(23,24)15-9-13(17)3-4-14(15)18;/h3-4,9,11-12,19H,5-8,10H2,1-2H3,(H,20,22);1H
InChIKeyCSFYGVDXZBKYFK-UHFFFAOYSA-N
XLogP1.51
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.90
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-difluorophenyl)sulfonyl-N-(2,2-diphenylethyl)piperidine-4-carboxamide
CID 27770594
N-(3-aminobutyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 119499390
1-(2,5-difluorophenyl)sulfonyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]piperidine-4-carboxamide
CID 55665895
1-(2,4-dimethylphenyl)sulfonyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide
CID 120827983
N-[2-(azepan-1-yl)ethyl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55613661
1-(2,5-difluorophenyl)sulfonyl-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide
CID 55583452
1-(2,5-difluorophenyl)sulfonyl-N-[4-(methylcarbamoylamino)phenyl]piperidine-4-carboxamide
CID 55521485
1-(2,4-difluorophenyl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide
CID 60599241
3-[[1-(2-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methylpropanoic acid
CID 119237158
1-(2,5-difluorophenyl)sulfonyl-N-methyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 134058743
1-(2,5-difluorophenyl)sulfonyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride
CID 119454029
N-[(2S)-butan-2-yl]-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 41447264

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride (CID 120827948) is 1-(2,5-difluorophenyl)sulfonyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(2,5-difluorophenyl)sulfonyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(2,5-difluorophenyl)sulfonyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride is CNC(C)CNC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1.Cl.
What is the InChIKey of 1-(2,5-difluorophenyl)sulfonyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is CSFYGVDXZBKYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3O3S.ClH/c1-11(19-2)10-20-16(22)12-5-7-21(8-6-12)25(23,24)15-9-13(17)3-4-14(15)18;/h3-4,9,11-12,19H,5-8,10H2,1-2H3,(H,20,22);1H.
What are the key properties of 1-(2,5-difluorophenyl)sulfonyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride?
1-(2,5-difluorophenyl)sulfonyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 411.90 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)sulfonyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120827948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).