2-fluoro-4-(4-methoxypiperidin-1-yl)sulfonylaniline

C12H17FN2O3S — CID 82844541

IUPAC2-fluoro-4-(4-methoxypiperidin-1-yl)sulfonylaniline
SMILESCOC1CCN(S(=O)(=O)c2ccc(N)c(F)c2)CC1
InChIInChI=1S/C12H17FN2O3S/c1-18-9-4-6-15(7-5-9)19(16,17)10-2-3-12(14)11(13)8-10/h2-3,8-9H,4-7,14H2,1H3
InChIKeyXYKTYFIYEAKXIG-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.21
Rot. Bonds3

About 2-fluoro-4-(4-methoxypiperidin-1-yl)sulfonylaniline

2-fluoro-4-(4-methoxypiperidin-1-yl)sulfonylaniline (PubChem CID 82844541) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-fluoro-4-(4-methoxypiperidin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name2-fluoro-4-(4-methoxypiperidin-1-yl)sulfonylaniline
PubChem CID82844541
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name2-fluoro-4-(4-methoxypiperidin-1-yl)sulfonylaniline
SMILESCOC1CCN(S(=O)(=O)c2ccc(N)c(F)c2)CC1
InChIInChI=1S/C12H17FN2O3S/c1-18-9-4-6-15(7-5-9)19(16,17)10-2-3-12(14)11(13)8-10/h2-3,8-9H,4-7,14H2,1H3
InChIKeyXYKTYFIYEAKXIG-UHFFFAOYSA-N
XLogP1.21
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-(4-amino-3-fluorophenyl)sulfonylpiperidine-4-carboxylate
CID 82845277
2-[1-(4-amino-3-fluorophenyl)sulfonylpiperidin-4-yl]oxyethanol
CID 82846393
2-bromo-5-(4-methoxypiperidin-1-yl)sulfonylaniline
CID 115328758
4-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-2-fluoroaniline
CID 82844575
1-(4-amino-3-fluorophenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine
CID 82846137
2-fluoro-4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]aniline
CID 82843705
2-bromo-4-fluoro-5-(4-methoxypiperidin-1-yl)sulfonylaniline
CID 116529643
4-(3-methoxypyrrolidin-1-yl)sulfonyl-2-nitroaniline
CID 103535330
2-fluoro-4-(3,3,4-trimethylpiperazin-1-yl)sulfonylaniline
CID 82843883
2-[1-(4-amino-3-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 114796820
1-[4-(4-methoxypiperidin-1-yl)sulfonylphenyl]ethanamine
CID 43373233
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-fluoroaniline
CID 82844225

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(4-methoxypiperidin-1-yl)sulfonylaniline?
The IUPAC name of 2-fluoro-4-(4-methoxypiperidin-1-yl)sulfonylaniline (CID 82844541) is 2-fluoro-4-(4-methoxypiperidin-1-yl)sulfonylaniline.
What is the SMILES notation for 2-fluoro-4-(4-methoxypiperidin-1-yl)sulfonylaniline?
The canonical SMILES for 2-fluoro-4-(4-methoxypiperidin-1-yl)sulfonylaniline is COC1CCN(S(=O)(=O)c2ccc(N)c(F)c2)CC1.
What is the InChIKey of 2-fluoro-4-(4-methoxypiperidin-1-yl)sulfonylaniline?
The InChIKey is XYKTYFIYEAKXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c1-18-9-4-6-15(7-5-9)19(16,17)10-2-3-12(14)11(13)8-10/h2-3,8-9H,4-7,14H2,1H3.
What are the key properties of 2-fluoro-4-(4-methoxypiperidin-1-yl)sulfonylaniline?
2-fluoro-4-(4-methoxypiperidin-1-yl)sulfonylaniline has a molecular weight of 288.34 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(4-methoxypiperidin-1-yl)sulfonylaniline is sourced from PubChem (CID 82844541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).