4-fluoro-2-(3-propoxypiperidin-1-yl)sulfonylaniline

C14H21FN2O3S — CID 61170931

IUPAC4-fluoro-2-(3-propoxypiperidin-1-yl)sulfonylaniline
SMILESCCCOC1CCCN(S(=O)(=O)c2cc(F)ccc2N)C1
InChIInChI=1S/C14H21FN2O3S/c1-2-8-20-12-4-3-7-17(10-12)21(18,19)14-9-11(15)5-6-13(14)16/h5-6,9,12H,2-4,7-8,10,16H2,1H3
InChIKeyWEORHPMAAJNAPE-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.99
Rot. Bonds5

About 4-fluoro-2-(3-propoxypiperidin-1-yl)sulfonylaniline

4-fluoro-2-(3-propoxypiperidin-1-yl)sulfonylaniline (PubChem CID 61170931) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is 4-fluoro-2-(3-propoxypiperidin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name4-fluoro-2-(3-propoxypiperidin-1-yl)sulfonylaniline
PubChem CID61170931
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC Name4-fluoro-2-(3-propoxypiperidin-1-yl)sulfonylaniline
SMILESCCCOC1CCCN(S(=O)(=O)c2cc(F)ccc2N)C1
InChIInChI=1S/C14H21FN2O3S/c1-2-8-20-12-4-3-7-17(10-12)21(18,19)14-9-11(15)5-6-13(14)16/h5-6,9,12H,2-4,7-8,10,16H2,1H3
InChIKeyWEORHPMAAJNAPE-UHFFFAOYSA-N
XLogP1.99
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.99
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

1-(2-bromo-4-methylphenyl)sulfonyl-3-propoxypiperidine
CID 61169572
1-ethyl-4-(3-propoxypiperidin-1-yl)sulfonylpyrazol-3-amine
CID 61170930
4-fluoro-2-[(3-propoxypiperidin-1-yl)methyl]aniline
CID 54985711
5-(3-propoxypiperidin-1-yl)sulfonylpyrimidin-2-amine
CID 62151741
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-4-fluoroaniline
CID 60986308
4-fluoro-2-(3,4,5-trimethylpiperazin-1-yl)sulfonylaniline
CID 114542775
(3R)-1-(2-amino-5-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 94895330
1-(2-amino-5-fluorophenyl)sulfonyl-3-methylpiperidin-4-ol
CID 114677579
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-4-fluoroaniline
CID 93398177
4-fluoro-2-(2-propylpiperidin-1-yl)sulfonylaniline
CID 83052783
1-[2-methyl-5-(1H-pyrazol-5-yl)furan-3-yl]sulfonyl-3-propoxypiperidine
CID 131940046
1-(bromomethylsulfonyl)-3-propoxypiperidine
CID 83086360

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(3-propoxypiperidin-1-yl)sulfonylaniline?
The IUPAC name of 4-fluoro-2-(3-propoxypiperidin-1-yl)sulfonylaniline (CID 61170931) is 4-fluoro-2-(3-propoxypiperidin-1-yl)sulfonylaniline.
What is the SMILES notation for 4-fluoro-2-(3-propoxypiperidin-1-yl)sulfonylaniline?
The canonical SMILES for 4-fluoro-2-(3-propoxypiperidin-1-yl)sulfonylaniline is CCCOC1CCCN(S(=O)(=O)c2cc(F)ccc2N)C1.
What is the InChIKey of 4-fluoro-2-(3-propoxypiperidin-1-yl)sulfonylaniline?
The InChIKey is WEORHPMAAJNAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c1-2-8-20-12-4-3-7-17(10-12)21(18,19)14-9-11(15)5-6-13(14)16/h5-6,9,12H,2-4,7-8,10,16H2,1H3.
What are the key properties of 4-fluoro-2-(3-propoxypiperidin-1-yl)sulfonylaniline?
4-fluoro-2-(3-propoxypiperidin-1-yl)sulfonylaniline has a molecular weight of 316.40 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(3-propoxypiperidin-1-yl)sulfonylaniline is sourced from PubChem (CID 61170931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).