N-fluoro-3-(2-methoxyphenyl)piperidine-1-sulfonamide

C12H17FN2O3S — CID 89397295

IUPACN-fluoro-3-(2-methoxyphenyl)piperidine-1-sulfonamide
SMILESCOc1ccccc1C1CCCN(S(=O)(=O)NF)C1
InChIInChI=1S/C12H17FN2O3S/c1-18-12-7-3-2-6-11(12)10-5-4-8-15(9-10)19(16,17)14-13/h2-3,6-7,10,14H,4-5,8-9H2,1H3
InChIKeyRTKKLMUOKGNPOR-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.59
Rot. Bonds4

About N-fluoro-3-(2-methoxyphenyl)piperidine-1-sulfonamide

N-fluoro-3-(2-methoxyphenyl)piperidine-1-sulfonamide (PubChem CID 89397295) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is N-fluoro-3-(2-methoxyphenyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-fluoro-3-(2-methoxyphenyl)piperidine-1-sulfonamide
PubChem CID89397295
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC NameN-fluoro-3-(2-methoxyphenyl)piperidine-1-sulfonamide
SMILESCOc1ccccc1C1CCCN(S(=O)(=O)NF)C1
InChIInChI=1S/C12H17FN2O3S/c1-18-12-7-3-2-6-11(12)10-5-4-8-15(9-10)19(16,17)14-13/h2-3,6-7,10,14H,4-5,8-9H2,1H3
InChIKeyRTKKLMUOKGNPOR-UHFFFAOYSA-N
XLogP1.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-(2,6-difluorophenyl)sulfonyl-3-(2-methoxyphenyl)pyrrolidine
CID 96507301
(3S)-3-(2-methoxyphenyl)-1-thiophen-2-ylsulfonylpyrrolidine
CID 95632946
1-cyclopentyl-3-(2-methoxyphenyl)pyrrolidine
CID 86814277
2-[(3R)-1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]benzoic acid
CID 95715201
(2-hydroxycyclopentyl)-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 110015914
1-cyclopropyl-2-methoxybenzene;ethane
CID 144769798
(1-hydroxycyclopentyl)-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 111437303
1-hydroxy-4-(2-methoxyphenyl)piperidine
CID 154170969
2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanamine
CID 23287971
1-cyclohexyl-4-[4-(2-methoxyphenyl)cyclohexyl]piperazine;ethane
CID 143500480
[4-(2-methoxyphenyl)piperidin-1-yl] 2,2,2-trifluoroacetate
CID 170306056
2-(2-methoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 10308007

Frequently Asked Questions

What is the IUPAC name of N-fluoro-3-(2-methoxyphenyl)piperidine-1-sulfonamide?
The IUPAC name of N-fluoro-3-(2-methoxyphenyl)piperidine-1-sulfonamide (CID 89397295) is N-fluoro-3-(2-methoxyphenyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-fluoro-3-(2-methoxyphenyl)piperidine-1-sulfonamide?
The canonical SMILES for N-fluoro-3-(2-methoxyphenyl)piperidine-1-sulfonamide is COc1ccccc1C1CCCN(S(=O)(=O)NF)C1.
What is the InChIKey of N-fluoro-3-(2-methoxyphenyl)piperidine-1-sulfonamide?
The InChIKey is RTKKLMUOKGNPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c1-18-12-7-3-2-6-11(12)10-5-4-8-15(9-10)19(16,17)14-13/h2-3,6-7,10,14H,4-5,8-9H2,1H3.
What are the key properties of N-fluoro-3-(2-methoxyphenyl)piperidine-1-sulfonamide?
N-fluoro-3-(2-methoxyphenyl)piperidine-1-sulfonamide has a molecular weight of 288.34 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-3-(2-methoxyphenyl)piperidine-1-sulfonamide is sourced from PubChem (CID 89397295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).