1-(3-fluorophenyl)sulfonylpiperidine-3-sulfonamide

C11H15FN2O4S2 — CID 61132900

IUPAC1-(3-fluorophenyl)sulfonylpiperidine-3-sulfonamide
SMILESNS(=O)(=O)C1CCCN(S(=O)(=O)c2cccc(F)c2)C1
InChIInChI=1S/C11H15FN2O4S2/c12-9-3-1-4-10(7-9)20(17,18)14-6-2-5-11(8-14)19(13,15)16/h1,3-4,7,11H,2,5-6,8H2,(H2,13,15,16)
InChIKeyHVGXPLLYSSVPHT-UHFFFAOYSA-N
MW322.38 g/mol
LogP0.27
Rot. Bonds3

About 1-(3-fluorophenyl)sulfonylpiperidine-3-sulfonamide

1-(3-fluorophenyl)sulfonylpiperidine-3-sulfonamide (PubChem CID 61132900) has the molecular formula C11H15FN2O4S2 and a molecular weight of 322.38 g/mol. Its IUPAC name is 1-(3-fluorophenyl)sulfonylpiperidine-3-sulfonamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)sulfonylpiperidine-3-sulfonamide
PubChem CID61132900
Molecular FormulaC11H15FN2O4S2
Molecular Weight322.38 g/mol
Exact Mass322.05
IUPAC Name1-(3-fluorophenyl)sulfonylpiperidine-3-sulfonamide
SMILESNS(=O)(=O)C1CCCN(S(=O)(=O)c2cccc(F)c2)C1
InChIInChI=1S/C11H15FN2O4S2/c12-9-3-1-4-10(7-9)20(17,18)14-6-2-5-11(8-14)19(13,15)16/h1,3-4,7,11H,2,5-6,8H2,(H2,13,15,16)
InChIKeyHVGXPLLYSSVPHT-UHFFFAOYSA-N
XLogP0.27
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylphenyl)sulfonylpiperidine-3-sulfonamide
CID 61132771
1-(2,5-difluorophenyl)sulfonylpiperidine-3-sulfonamide
CID 61132459
(3S)-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine-3-sulfonamide
CID 97257934
(1S)-1-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124553884
3-(chloromethyl)-1-(3-fluorophenyl)sulfonylpiperidine
CID 63397711
(3R)-1-(3-fluorophenyl)sulfonylpiperidine-3-carboxylic acid
CID 40639359
1-(5-fluoro-2-methylphenyl)sulfonylpiperidine-3-sulfonamide
CID 61132458
1-(4-fluoro-2-methylphenyl)sulfonylpiperidine-3-sulfonamide
CID 61132278
1-(3-fluoro-5-nitrophenyl)sulfonylpiperidine-3-sulfonamide
CID 75400396
ethyl (3S)-1-(3-fluorophenyl)sulfonylpiperidine-3-carboxylate
CID 81307363
2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]acetic acid
CID 53211439
N-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]acetamide
CID 47304951

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)sulfonylpiperidine-3-sulfonamide?
The IUPAC name of 1-(3-fluorophenyl)sulfonylpiperidine-3-sulfonamide (CID 61132900) is 1-(3-fluorophenyl)sulfonylpiperidine-3-sulfonamide.
What is the SMILES notation for 1-(3-fluorophenyl)sulfonylpiperidine-3-sulfonamide?
The canonical SMILES for 1-(3-fluorophenyl)sulfonylpiperidine-3-sulfonamide is NS(=O)(=O)C1CCCN(S(=O)(=O)c2cccc(F)c2)C1.
What is the InChIKey of 1-(3-fluorophenyl)sulfonylpiperidine-3-sulfonamide?
The InChIKey is HVGXPLLYSSVPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O4S2/c12-9-3-1-4-10(7-9)20(17,18)14-6-2-5-11(8-14)19(13,15)16/h1,3-4,7,11H,2,5-6,8H2,(H2,13,15,16).
What are the key properties of 1-(3-fluorophenyl)sulfonylpiperidine-3-sulfonamide?
1-(3-fluorophenyl)sulfonylpiperidine-3-sulfonamide has a molecular weight of 322.38 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)sulfonylpiperidine-3-sulfonamide is sourced from PubChem (CID 61132900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).