1-(2,5-difluorophenyl)sulfonylpiperidine-3-sulfonamide

C11H14F2N2O4S2 — CID 61132459

IUPAC1-(2,5-difluorophenyl)sulfonylpiperidine-3-sulfonamide
SMILESNS(=O)(=O)C1CCCN(S(=O)(=O)c2cc(F)ccc2F)C1
InChIInChI=1S/C11H14F2N2O4S2/c12-8-3-4-10(13)11(6-8)21(18,19)15-5-1-2-9(7-15)20(14,16)17/h3-4,6,9H,1-2,5,7H2,(H2,14,16,17)
InChIKeyUNELMHLHVBCABY-UHFFFAOYSA-N
MW340.37 g/mol
LogP0.41
Rot. Bonds3

About 1-(2,5-difluorophenyl)sulfonylpiperidine-3-sulfonamide

1-(2,5-difluorophenyl)sulfonylpiperidine-3-sulfonamide (PubChem CID 61132459) has the molecular formula C11H14F2N2O4S2 and a molecular weight of 340.37 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)sulfonylpiperidine-3-sulfonamide.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)sulfonylpiperidine-3-sulfonamide
PubChem CID61132459
Molecular FormulaC11H14F2N2O4S2
Molecular Weight340.37 g/mol
Exact Mass340.04
IUPAC Name1-(2,5-difluorophenyl)sulfonylpiperidine-3-sulfonamide
SMILESNS(=O)(=O)C1CCCN(S(=O)(=O)c2cc(F)ccc2F)C1
InChIInChI=1S/C11H14F2N2O4S2/c12-8-3-4-10(13)11(6-8)21(18,19)15-5-1-2-9(7-15)20(14,16)17/h3-4,6,9H,1-2,5,7H2,(H2,14,16,17)
InChIKeyUNELMHLHVBCABY-UHFFFAOYSA-N
XLogP0.41
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-fluoro-2-methylphenyl)sulfonylpiperidine-3-sulfonamide
CID 61132458
1-(4-fluoro-2-methylphenyl)sulfonylpiperidine-3-sulfonamide
CID 61132278
1-(3-fluorophenyl)sulfonylpiperidine-3-sulfonamide
CID 61132900
1-[1-(2,5-difluorophenyl)sulfonylpiperidin-3-yl]ethanone
CID 63846761
[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 55030656
(3S)-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine-3-sulfonamide
CID 97257934
1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidine-3-sulfonamide
CID 103302923
1-(2,4-difluorophenyl)sulfonyl-3-fluoropiperidine
CID 142458057
piperidine-1,3-disulfonamide
CID 115897696
1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonyl-1,4-diazepane
CID 38257109
1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 71808840
1-(2,5-difluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119981939

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)sulfonylpiperidine-3-sulfonamide?
The IUPAC name of 1-(2,5-difluorophenyl)sulfonylpiperidine-3-sulfonamide (CID 61132459) is 1-(2,5-difluorophenyl)sulfonylpiperidine-3-sulfonamide.
What is the SMILES notation for 1-(2,5-difluorophenyl)sulfonylpiperidine-3-sulfonamide?
The canonical SMILES for 1-(2,5-difluorophenyl)sulfonylpiperidine-3-sulfonamide is NS(=O)(=O)C1CCCN(S(=O)(=O)c2cc(F)ccc2F)C1.
What is the InChIKey of 1-(2,5-difluorophenyl)sulfonylpiperidine-3-sulfonamide?
The InChIKey is UNELMHLHVBCABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O4S2/c12-8-3-4-10(13)11(6-8)21(18,19)15-5-1-2-9(7-15)20(14,16)17/h3-4,6,9H,1-2,5,7H2,(H2,14,16,17).
What are the key properties of 1-(2,5-difluorophenyl)sulfonylpiperidine-3-sulfonamide?
1-(2,5-difluorophenyl)sulfonylpiperidine-3-sulfonamide has a molecular weight of 340.37 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)sulfonylpiperidine-3-sulfonamide is sourced from PubChem (CID 61132459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).