2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide

C14H18F2N2O5S2 — CID 90592825

IUPAC2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide
SMILESCNC(=O)CS(=O)(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C14H18F2N2O5S2/c1-17-14(19)9-24(20,21)11-4-6-18(7-5-11)25(22,23)13-8-10(15)2-3-12(13)16/h2-3,8,11H,4-7,9H2,1H3,(H,17,19)
InChIKeyFQRCTQVHKVLIQI-UHFFFAOYSA-N
MW396.44 g/mol
LogP0.28
Rot. Bonds5

About 2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide

2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide (PubChem CID 90592825) has the molecular formula C14H18F2N2O5S2 and a molecular weight of 396.44 g/mol. Its IUPAC name is 2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide
PubChem CID90592825
Molecular FormulaC14H18F2N2O5S2
Molecular Weight396.44 g/mol
Exact Mass396.06
IUPAC Name2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide
SMILESCNC(=O)CS(=O)(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C14H18F2N2O5S2/c1-17-14(19)9-24(20,21)11-4-6-18(7-5-11)25(22,23)13-8-10(15)2-3-12(13)16/h2-3,8,11H,4-7,9H2,1H3,(H,17,19)
InChIKeyFQRCTQVHKVLIQI-UHFFFAOYSA-N
XLogP0.28
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592837
2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592852
1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 71808840
methyl 3-[4-[2-(methylamino)-2-oxoethyl]sulfonylpiperidin-1-yl]sulfonylthiophene-2-carboxylate
CID 71809152
1-(2,5-difluorophenyl)sulfonyl-N-[4-(methylcarbamoylamino)phenyl]piperidine-4-carboxamide
CID 55521485
ethyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate
CID 78797808
N-methyl-2-[1-(3-phenylphenyl)sulfonylpiperidin-4-yl]sulfonylacetamide
CID 90592892
1-(2,5-difluorophenyl)sulfonyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]piperidine-4-carboxamide
CID 55665895
1-(2,5-difluorophenyl)sulfonyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride
CID 120827948
N-[2-(azepan-1-yl)ethyl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55613661
2-[1-(2-fluorobenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592510
N-[[4-fluoro-2-(4-methylpiperidin-1-yl)sulfonylphenyl]methyl]ethanamine
CID 102920201

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide?
The IUPAC name of 2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide (CID 90592825) is 2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide.
What is the SMILES notation for 2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide?
The canonical SMILES for 2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide is CNC(=O)CS(=O)(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of 2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide?
The InChIKey is FQRCTQVHKVLIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O5S2/c1-17-14(19)9-24(20,21)11-4-6-18(7-5-11)25(22,23)13-8-10(15)2-3-12(13)16/h2-3,8,11H,4-7,9H2,1H3,(H,17,19).
What are the key properties of 2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide?
2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide has a molecular weight of 396.44 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide is sourced from PubChem (CID 90592825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).