1-(2-fluoro-6-nitrophenyl)sulfonylpiperidin-4-amine

C11H14FN3O4S — CID 119959190

IUPAC1-(2-fluoro-6-nitrophenyl)sulfonylpiperidin-4-amine
SMILESNC1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1
InChIInChI=1S/C11H14FN3O4S/c12-9-2-1-3-10(15(16)17)11(9)20(18,19)14-6-4-8(13)5-7-14/h1-3,8H,4-7,13H2
InChIKeyWUHBSEVAVOSRRV-UHFFFAOYSA-N
MW303.31 g/mol
LogP0.85
Rot. Bonds3

About 1-(2-fluoro-6-nitrophenyl)sulfonylpiperidin-4-amine

1-(2-fluoro-6-nitrophenyl)sulfonylpiperidin-4-amine (PubChem CID 119959190) has the molecular formula C11H14FN3O4S and a molecular weight of 303.31 g/mol. Its IUPAC name is 1-(2-fluoro-6-nitrophenyl)sulfonylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2-fluoro-6-nitrophenyl)sulfonylpiperidin-4-amine
PubChem CID119959190
Molecular FormulaC11H14FN3O4S
Molecular Weight303.31 g/mol
Exact Mass303.07
IUPAC Name1-(2-fluoro-6-nitrophenyl)sulfonylpiperidin-4-amine
SMILESNC1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1
InChIInChI=1S/C11H14FN3O4S/c12-9-2-1-3-10(15(16)17)11(9)20(18,19)14-6-4-8(13)5-7-14/h1-3,8H,4-7,13H2
InChIKeyWUHBSEVAVOSRRV-UHFFFAOYSA-N
XLogP0.85
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-methyl-6-nitrophenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959318
1-(2-fluoro-6-nitrophenyl)sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120779606
3-[1-(2-fluoro-6-nitrophenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine;hydrochloride
CID 119992686
(3S)-1-(2-methyl-6-nitrophenyl)sulfonylpyrrolidin-3-amine
CID 115302171
(3S)-1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993401
1-(3-fluoro-4-nitrophenyl)sulfonylpiperidin-4-amine
CID 82855183
(3R)-1-(2-methyl-6-nitrophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962817
1-(2-fluoro-6-nitrophenyl)sulfonyl-N-methylpiperidin-3-amine;hydrochloride
CID 120714976
1-[1-(2-fluoro-6-nitrophenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984478
cyclopropanamine;1-fluoro-2-nitrobenzene
CID 157106778
(3R)-1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-3-amine
CID 115301727
[1-(2-fluoro-6-nitrophenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine
CID 120718884

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-nitrophenyl)sulfonylpiperidin-4-amine?
The IUPAC name of 1-(2-fluoro-6-nitrophenyl)sulfonylpiperidin-4-amine (CID 119959190) is 1-(2-fluoro-6-nitrophenyl)sulfonylpiperidin-4-amine.
What is the SMILES notation for 1-(2-fluoro-6-nitrophenyl)sulfonylpiperidin-4-amine?
The canonical SMILES for 1-(2-fluoro-6-nitrophenyl)sulfonylpiperidin-4-amine is NC1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1.
What is the InChIKey of 1-(2-fluoro-6-nitrophenyl)sulfonylpiperidin-4-amine?
The InChIKey is WUHBSEVAVOSRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O4S/c12-9-2-1-3-10(15(16)17)11(9)20(18,19)14-6-4-8(13)5-7-14/h1-3,8H,4-7,13H2.
What are the key properties of 1-(2-fluoro-6-nitrophenyl)sulfonylpiperidin-4-amine?
1-(2-fluoro-6-nitrophenyl)sulfonylpiperidin-4-amine has a molecular weight of 303.31 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-nitrophenyl)sulfonylpiperidin-4-amine is sourced from PubChem (CID 119959190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).