1-(3-fluoro-4-nitrophenyl)sulfonylpiperidin-4-amine

C11H14FN3O4S — CID 82855183

IUPAC1-(3-fluoro-4-nitrophenyl)sulfonylpiperidin-4-amine
SMILESNC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)CC1
InChIInChI=1S/C11H14FN3O4S/c12-10-7-9(1-2-11(10)15(16)17)20(18,19)14-5-3-8(13)4-6-14/h1-2,7-8H,3-6,13H2
InChIKeySDKWNAGLXSRIIS-UHFFFAOYSA-N
MW303.31 g/mol
LogP0.85
Rot. Bonds3

About 1-(3-fluoro-4-nitrophenyl)sulfonylpiperidin-4-amine

1-(3-fluoro-4-nitrophenyl)sulfonylpiperidin-4-amine (PubChem CID 82855183) has the molecular formula C11H14FN3O4S and a molecular weight of 303.31 g/mol. Its IUPAC name is 1-(3-fluoro-4-nitrophenyl)sulfonylpiperidin-4-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-nitrophenyl)sulfonylpiperidin-4-amine
PubChem CID82855183
Molecular FormulaC11H14FN3O4S
Molecular Weight303.31 g/mol
Exact Mass303.07
IUPAC Name1-(3-fluoro-4-nitrophenyl)sulfonylpiperidin-4-amine
SMILESNC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)CC1
InChIInChI=1S/C11H14FN3O4S/c12-10-7-9(1-2-11(10)15(16)17)20(18,19)14-5-3-8(13)4-6-14/h1-2,7-8H,3-6,13H2
InChIKeySDKWNAGLXSRIIS-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

(3R)-1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-3-amine
CID 115301727
(3R)-1-(3-fluoro-4-nitrophenyl)sulfonylpyrrolidin-3-ol
CID 82854595
1-(3-fluoro-4-nitrophenyl)sulfonyl-4,4-dimethylpiperidine
CID 82847121
1-(3-fluoro-4-nitrophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 82846589
1-(2-fluoro-6-nitrophenyl)sulfonylpiperidin-4-amine
CID 119959190
1-(3-fluoro-4-nitrophenyl)sulfonyl-3-methylpiperidine
CID 82840446
5-(4-aminopiperidin-1-yl)sulfonyl-2-fluorobenzonitrile
CID 63288398
1-(3-nitrophenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 120998710
4-(3-fluoro-4-nitrophenyl)sulfonyl-1-methylpiperazin-2-one
CID 82847301
1-(4-fluoro-3-nitrophenyl)sulfonylazetidin-3-amine
CID 65244416
(3R)-1-(2,4-difluoro-5-nitrophenyl)sulfonylpyrrolidin-3-amine
CID 115301816
2-[1-(3-fluoro-4-nitrophenyl)sulfonylazetidin-3-yl]acetic acid
CID 82846592

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-nitrophenyl)sulfonylpiperidin-4-amine?
The IUPAC name of 1-(3-fluoro-4-nitrophenyl)sulfonylpiperidin-4-amine (CID 82855183) is 1-(3-fluoro-4-nitrophenyl)sulfonylpiperidin-4-amine.
What is the SMILES notation for 1-(3-fluoro-4-nitrophenyl)sulfonylpiperidin-4-amine?
The canonical SMILES for 1-(3-fluoro-4-nitrophenyl)sulfonylpiperidin-4-amine is NC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)CC1.
What is the InChIKey of 1-(3-fluoro-4-nitrophenyl)sulfonylpiperidin-4-amine?
The InChIKey is SDKWNAGLXSRIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O4S/c12-10-7-9(1-2-11(10)15(16)17)20(18,19)14-5-3-8(13)4-6-14/h1-2,7-8H,3-6,13H2.
What are the key properties of 1-(3-fluoro-4-nitrophenyl)sulfonylpiperidin-4-amine?
1-(3-fluoro-4-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-(3-fluoro-4-nitrophenyl)sulfonylpiperidin-4-amine is sourced from PubChem (CID 82855183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).