1-(5-fluoro-2-methylphenyl)sulfonylpiperidine-3-sulfonamide

C12H17FN2O4S2 — CID 61132458

IUPAC1-(5-fluoro-2-methylphenyl)sulfonylpiperidine-3-sulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)N1CCCC(S(N)(=O)=O)C1
InChIInChI=1S/C12H17FN2O4S2/c1-9-4-5-10(13)7-12(9)21(18,19)15-6-2-3-11(8-15)20(14,16)17/h4-5,7,11H,2-3,6,8H2,1H3,(H2,14,16,17)
InChIKeyHRKVMNWFEISMQI-UHFFFAOYSA-N
MW336.41 g/mol
LogP0.58
Rot. Bonds3

About 1-(5-fluoro-2-methylphenyl)sulfonylpiperidine-3-sulfonamide

1-(5-fluoro-2-methylphenyl)sulfonylpiperidine-3-sulfonamide (PubChem CID 61132458) has the molecular formula C12H17FN2O4S2 and a molecular weight of 336.41 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)sulfonylpiperidine-3-sulfonamide.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)sulfonylpiperidine-3-sulfonamide
PubChem CID61132458
Molecular FormulaC12H17FN2O4S2
Molecular Weight336.41 g/mol
Exact Mass336.06
IUPAC Name1-(5-fluoro-2-methylphenyl)sulfonylpiperidine-3-sulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)N1CCCC(S(N)(=O)=O)C1
InChIInChI=1S/C12H17FN2O4S2/c1-9-4-5-10(13)7-12(9)21(18,19)15-6-2-3-11(8-15)20(14,16)17/h4-5,7,11H,2-3,6,8H2,1H3,(H2,14,16,17)
InChIKeyHRKVMNWFEISMQI-UHFFFAOYSA-N
XLogP0.58
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluoro-2-methylphenyl)sulfonylpiperidine-3-sulfonamide
CID 61132278
1-(2,5-difluorophenyl)sulfonylpiperidine-3-sulfonamide
CID 61132459
3-(chloromethyl)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine
CID 63397617
1-(5-fluoro-2-methylphenyl)sulfonyl-3-isocyanatopiperidine
CID 43344378
1-(3-fluorophenyl)sulfonylpiperidine-3-sulfonamide
CID 61132900
1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 55130963
methyl (3S)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 79031942
(3R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-amine
CID 93274616
[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62371177
1-(5-fluoro-2-methylphenyl)sulfonyl-4-methylpiperidine
CID 145499915
(3S,4R)-1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidine-3,4-diol
CID 79410588
4-bromo-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine
CID 80672227

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)sulfonylpiperidine-3-sulfonamide?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)sulfonylpiperidine-3-sulfonamide (CID 61132458) is 1-(5-fluoro-2-methylphenyl)sulfonylpiperidine-3-sulfonamide.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)sulfonylpiperidine-3-sulfonamide?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)sulfonylpiperidine-3-sulfonamide is Cc1ccc(F)cc1S(=O)(=O)N1CCCC(S(N)(=O)=O)C1.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)sulfonylpiperidine-3-sulfonamide?
The InChIKey is HRKVMNWFEISMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O4S2/c1-9-4-5-10(13)7-12(9)21(18,19)15-6-2-3-11(8-15)20(14,16)17/h4-5,7,11H,2-3,6,8H2,1H3,(H2,14,16,17).
What are the key properties of 1-(5-fluoro-2-methylphenyl)sulfonylpiperidine-3-sulfonamide?
1-(5-fluoro-2-methylphenyl)sulfonylpiperidine-3-sulfonamide has a molecular weight of 336.41 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)sulfonylpiperidine-3-sulfonamide is sourced from PubChem (CID 61132458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).