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

C14H21FN2O2S — CID 83052783

IUPAC4-fluoro-2-(2-propylpiperidin-1-yl)sulfonylaniline
SMILESCCCC1CCCCN1S(=O)(=O)c1cc(F)ccc1N
InChIInChI=1S/C14H21FN2O2S/c1-2-5-12-6-3-4-9-17(12)20(18,19)14-10-11(15)7-8-13(14)16/h7-8,10,12H,2-6,9,16H2,1H3
InChIKeyNHDZTBPTVRHTMU-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.75
Rot. Bonds4

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

4-fluoro-2-(2-propylpiperidin-1-yl)sulfonylaniline (PubChem CID 83052783) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is 4-fluoro-2-(2-propylpiperidin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name4-fluoro-2-(2-propylpiperidin-1-yl)sulfonylaniline
PubChem CID83052783
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC Name4-fluoro-2-(2-propylpiperidin-1-yl)sulfonylaniline
SMILESCCCC1CCCCN1S(=O)(=O)c1cc(F)ccc1N
InChIInChI=1S/C14H21FN2O2S/c1-2-5-12-6-3-4-9-17(12)20(18,19)14-10-11(15)7-8-13(14)16/h7-8,10,12H,2-6,9,16H2,1H3
InChIKeyNHDZTBPTVRHTMU-UHFFFAOYSA-N
XLogP2.75
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluorophenyl)sulfonyl-2-propylpiperidine
CID 83052559
2-(2-bromoethyl)-1-(2,5-difluorophenyl)sulfonylpiperidine
CID 80671795
5-methoxy-2-(2-propylpiperidin-1-yl)sulfonylaniline
CID 83052764
2-(2-chloroethyl)-1-(2,4-difluorophenyl)sulfonylpiperidine
CID 63397673
[2-fluoro-6-(2-propylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 83052838
4-methoxy-3-(2-propylpiperidin-1-yl)sulfonylaniline
CID 83053094
2-(chloromethyl)-1-(5-fluoro-2-methylphenyl)sulfonylazepane
CID 116639765
[1-(2,4-difluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969239
2-(chloromethyl)-1-(2,5-difluorophenyl)sulfonylazepane
CID 116639751
3-[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-amine
CID 63767384
2-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-4-fluoroaniline
CID 60986467
2-[1-(2,5-difluorophenyl)sulfonylpiperidin-2-yl]acetic acid
CID 61010119

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(2-propylpiperidin-1-yl)sulfonylaniline?
The IUPAC name of 4-fluoro-2-(2-propylpiperidin-1-yl)sulfonylaniline (CID 83052783) is 4-fluoro-2-(2-propylpiperidin-1-yl)sulfonylaniline.
What is the SMILES notation for 4-fluoro-2-(2-propylpiperidin-1-yl)sulfonylaniline?
The canonical SMILES for 4-fluoro-2-(2-propylpiperidin-1-yl)sulfonylaniline is CCCC1CCCCN1S(=O)(=O)c1cc(F)ccc1N.
What is the InChIKey of 4-fluoro-2-(2-propylpiperidin-1-yl)sulfonylaniline?
The InChIKey is NHDZTBPTVRHTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c1-2-5-12-6-3-4-9-17(12)20(18,19)14-10-11(15)7-8-13(14)16/h7-8,10,12H,2-6,9,16H2,1H3.
What are the key properties of 4-fluoro-2-(2-propylpiperidin-1-yl)sulfonylaniline?
4-fluoro-2-(2-propylpiperidin-1-yl)sulfonylaniline has a molecular weight of 300.40 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(2-propylpiperidin-1-yl)sulfonylaniline is sourced from PubChem (CID 83052783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).