4-amino-N-(1,3-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide

C13H20FN3O2S — CID 114502894

IUPAC4-amino-N-(1,3-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide
SMILESCC1CN(C)CCC1NS(=O)(=O)c1ccc(N)cc1F
InChIInChI=1S/C13H20FN3O2S/c1-9-8-17(2)6-5-12(9)16-20(18,19)13-4-3-10(15)7-11(13)14/h3-4,7,9,12,16H,5-6,8,15H2,1-2H3
InChIKeyIQVAWFZSQXJJRA-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.03
Rot. Bonds3

About 4-amino-N-(1,3-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide

4-amino-N-(1,3-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide (PubChem CID 114502894) has the molecular formula C13H20FN3O2S and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-amino-N-(1,3-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(1,3-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide
PubChem CID114502894
Molecular FormulaC13H20FN3O2S
Molecular Weight301.39 g/mol
Exact Mass301.13
IUPAC Name4-amino-N-(1,3-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide
SMILESCC1CN(C)CCC1NS(=O)(=O)c1ccc(N)cc1F
InChIInChI=1S/C13H20FN3O2S/c1-9-8-17(2)6-5-12(9)16-20(18,19)13-4-3-10(15)7-11(13)14/h3-4,7,9,12,16H,5-6,8,15H2,1-2H3
InChIKeyIQVAWFZSQXJJRA-UHFFFAOYSA-N
XLogP1.03
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(1,3-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide
CID 114383117
2-bromo-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide
CID 113228817
3-amino-N-(1,3-dimethylpiperidin-4-yl)-2,5-dimethylbenzenesulfonamide
CID 114502923
2,5-dibromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzenesulfonamide
CID 115698504
4-bromo-2-fluoro-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 116528485
3-amino-2-bromo-5-chloro-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide
CID 114502876
4-(2-aminoethyl)-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide
CID 114503351
4-amino-2-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213542
4-amino-N-(3,5-dimethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 64732843
4-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 114503126
5-bromo-4-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]furan-2-carboxylic acid
CID 114503127
2-cyano-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide
CID 115753517

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,3-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide?
The IUPAC name of 4-amino-N-(1,3-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide (CID 114502894) is 4-amino-N-(1,3-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(1,3-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-amino-N-(1,3-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide is CC1CN(C)CCC1NS(=O)(=O)c1ccc(N)cc1F.
What is the InChIKey of 4-amino-N-(1,3-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide?
The InChIKey is IQVAWFZSQXJJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O2S/c1-9-8-17(2)6-5-12(9)16-20(18,19)13-4-3-10(15)7-11(13)14/h3-4,7,9,12,16H,5-6,8,15H2,1-2H3.
What are the key properties of 4-amino-N-(1,3-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide?
4-amino-N-(1,3-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide has a molecular weight of 301.39 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,3-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 114502894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).