1-(2,4-difluorophenyl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide

C15H20F2N2O3S — CID 60599241

IUPAC1-(2,4-difluorophenyl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C15H20F2N2O3S/c1-10(2)18-15(20)11-5-7-19(8-6-11)23(21,22)14-4-3-12(16)9-13(14)17/h3-4,9-11H,5-8H2,1-2H3,(H,18,20)
InChIKeyJWVTUXGLLXKHES-UHFFFAOYSA-N
MW346.40 g/mol
LogP1.89
Rot. Bonds4

About 1-(2,4-difluorophenyl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide

1-(2,4-difluorophenyl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 60599241) has the molecular formula C15H20F2N2O3S and a molecular weight of 346.40 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID60599241
Molecular FormulaC15H20F2N2O3S
Molecular Weight346.40 g/mol
Exact Mass346.12
IUPAC Name1-(2,4-difluorophenyl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C15H20F2N2O3S/c1-10(2)18-15(20)11-5-7-19(8-6-11)23(21,22)14-4-3-12(16)9-13(14)17/h3-4,9-11H,5-8H2,1-2H3,(H,18,20)
InChIKeyJWVTUXGLLXKHES-UHFFFAOYSA-N
XLogP1.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119979918
N-[1-(2,5-difluorophenyl)ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 46591322
1-(2,5-difluorophenyl)sulfonyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]piperidine-4-carboxamide
CID 55665895
1-(2,4-difluorophenyl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide
CID 77038290
1-(2,5-difluorophenyl)sulfonyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride
CID 120827948
N-[(2S)-butan-2-yl]-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 41447264
1-[[5-[(E)-2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 46351872
(2R)-N-cyclopropyl-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 8771468
1-(2,5-difluorophenyl)sulfonyl-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide
CID 55583452
1-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-1-one
CID 51169740
1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 63248386
N-[(1R)-1-cyclopropylethyl]-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 8771590

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(2,4-difluorophenyl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide (CID 60599241) is 1-(2,4-difluorophenyl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2,4-difluorophenyl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2,4-difluorophenyl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide is CC(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-(2,4-difluorophenyl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is JWVTUXGLLXKHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O3S/c1-10(2)18-15(20)11-5-7-19(8-6-11)23(21,22)14-4-3-12(16)9-13(14)17/h3-4,9-11H,5-8H2,1-2H3,(H,18,20).
What are the key properties of 1-(2,4-difluorophenyl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide?
1-(2,4-difluorophenyl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 346.40 g/mol, XLogP of 1.89, 4 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-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 60599241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).