N-(5-amino-2-fluorophenyl)-3,5-dimethylpiperidine-1-sulfonamide

C13H20FN3O2S — CID 43604955

IUPACN-(5-amino-2-fluorophenyl)-3,5-dimethylpiperidine-1-sulfonamide
SMILESCC1CC(C)CN(S(=O)(=O)Nc2cc(N)ccc2F)C1
InChIInChI=1S/C13H20FN3O2S/c1-9-5-10(2)8-17(7-9)20(18,19)16-13-6-11(15)3-4-12(13)14/h3-4,6,9-10,16H,5,7-8,15H2,1-2H3
InChIKeyWHGDTYYFXHSTTF-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.04
Rot. Bonds3

About N-(5-amino-2-fluorophenyl)-3,5-dimethylpiperidine-1-sulfonamide

N-(5-amino-2-fluorophenyl)-3,5-dimethylpiperidine-1-sulfonamide (PubChem CID 43604955) has the molecular formula C13H20FN3O2S and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-3,5-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-3,5-dimethylpiperidine-1-sulfonamide
PubChem CID43604955
Molecular FormulaC13H20FN3O2S
Molecular Weight301.39 g/mol
Exact Mass301.13
IUPAC NameN-(5-amino-2-fluorophenyl)-3,5-dimethylpiperidine-1-sulfonamide
SMILESCC1CC(C)CN(S(=O)(=O)Nc2cc(N)ccc2F)C1
InChIInChI=1S/C13H20FN3O2S/c1-9-5-10(2)8-17(7-9)20(18,19)16-13-6-11(15)3-4-12(13)14/h3-4,6,9-10,16H,5,7-8,15H2,1-2H3
InChIKeyWHGDTYYFXHSTTF-UHFFFAOYSA-N
XLogP2.04
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-methylphenyl)-4-methylpiperidine-1-sulfonamide
CID 28783386
N-(5-amino-2-fluorophenyl)-1,1,1-trifluoromethanesulfonamide
CID 43604958
N-(5-amino-2-fluorophenyl)-4-chloro-2-methylbenzenesulfonamide
CID 43604953
N-(2-amino-5-fluorophenyl)-4-methylpiperidine-1-sulfonamide
CID 63257526
N-(5-amino-2-fluorophenyl)-1-cyclohexylmethanesulfonamide
CID 61453724
N-cycloheptyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluorobenzamide
CID 4621990
(3R,5R)-1-(4-fluorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 755984
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-fluoro-2-methoxyaniline
CID 114624899
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluorobenzonitrile
CID 63239382
(3S,5S)-1-(2,4-difluorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 2409021
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-5-methylaniline
CID 43256117
methyl N-[(5-amino-2-fluorophenyl)sulfamoyl]carbamate
CID 114461484

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-3,5-dimethylpiperidine-1-sulfonamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-3,5-dimethylpiperidine-1-sulfonamide (CID 43604955) is N-(5-amino-2-fluorophenyl)-3,5-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-3,5-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-3,5-dimethylpiperidine-1-sulfonamide is CC1CC(C)CN(S(=O)(=O)Nc2cc(N)ccc2F)C1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-3,5-dimethylpiperidine-1-sulfonamide?
The InChIKey is WHGDTYYFXHSTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O2S/c1-9-5-10(2)8-17(7-9)20(18,19)16-13-6-11(15)3-4-12(13)14/h3-4,6,9-10,16H,5,7-8,15H2,1-2H3.
What are the key properties of N-(5-amino-2-fluorophenyl)-3,5-dimethylpiperidine-1-sulfonamide?
N-(5-amino-2-fluorophenyl)-3,5-dimethylpiperidine-1-sulfonamide has a molecular weight of 301.39 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-3,5-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 43604955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).