4-amino-N-(1-ethylpiperidin-4-yl)-3-fluorobenzenesulfonamide

C13H20FN3O2S — CID 82844406

IUPAC4-amino-N-(1-ethylpiperidin-4-yl)-3-fluorobenzenesulfonamide
SMILESCCN1CCC(NS(=O)(=O)c2ccc(N)c(F)c2)CC1
InChIInChI=1S/C13H20FN3O2S/c1-2-17-7-5-10(6-8-17)16-20(18,19)11-3-4-13(15)12(14)9-11/h3-4,9-10,16H,2,5-8,15H2,1H3
InChIKeyHXFUPBFFLOAZEK-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.17
Rot. Bonds4

About 4-amino-N-(1-ethylpiperidin-4-yl)-3-fluorobenzenesulfonamide

4-amino-N-(1-ethylpiperidin-4-yl)-3-fluorobenzenesulfonamide (PubChem CID 82844406) has the molecular formula C13H20FN3O2S and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-amino-N-(1-ethylpiperidin-4-yl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(1-ethylpiperidin-4-yl)-3-fluorobenzenesulfonamide
PubChem CID82844406
Molecular FormulaC13H20FN3O2S
Molecular Weight301.39 g/mol
Exact Mass301.13
IUPAC Name4-amino-N-(1-ethylpiperidin-4-yl)-3-fluorobenzenesulfonamide
SMILESCCN1CCC(NS(=O)(=O)c2ccc(N)c(F)c2)CC1
InChIInChI=1S/C13H20FN3O2S/c1-2-17-7-5-10(6-8-17)16-20(18,19)11-3-4-13(15)12(14)9-11/h3-4,9-10,16H,2,5-8,15H2,1H3
InChIKeyHXFUPBFFLOAZEK-UHFFFAOYSA-N
XLogP1.17
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.17
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-amino-3-fluoro-N-(4-methylcyclohexyl)benzenesulfonamide
CID 82843999
4-amino-3-fluoro-N-(4-propylcyclohexyl)benzenesulfonamide
CID 82845720
3-amino-N-(1-ethylpiperidin-4-yl)benzenesulfonamide
CID 61126995
4-amino-N-(1-ethylpiperidin-4-yl)-3-fluoro-N-methylbenzenesulfonamide
CID 82845259
3,4-difluoro-N-(1-propylpiperidin-4-yl)benzenesulfonamide
CID 22772626
2-amino-5-bromo-N-(1-ethylpiperidin-4-yl)benzenesulfonamide
CID 61126998
2-amino-4-chloro-N-(1-ethylpiperidin-4-yl)benzenesulfonamide
CID 61125265
4-ethoxy-N-(1-ethylpiperidin-4-yl)benzenesulfonamide
CID 22772564
4-amino-3-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
CID 82843888
4-amino-N-(1-benzylpiperidin-3-yl)-3-fluorobenzenesulfonamide
CID 113343263
2-chloro-N-(1-ethylpiperidin-4-yl)pyridine-4-sulfonamide
CID 61047090
N-[1-(cyclohexylmethyl)piperidin-4-yl]-3,4-difluorobenzenesulfonamide
CID 51127509

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-ethylpiperidin-4-yl)-3-fluorobenzenesulfonamide?
The IUPAC name of 4-amino-N-(1-ethylpiperidin-4-yl)-3-fluorobenzenesulfonamide (CID 82844406) is 4-amino-N-(1-ethylpiperidin-4-yl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(1-ethylpiperidin-4-yl)-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-amino-N-(1-ethylpiperidin-4-yl)-3-fluorobenzenesulfonamide is CCN1CCC(NS(=O)(=O)c2ccc(N)c(F)c2)CC1.
What is the InChIKey of 4-amino-N-(1-ethylpiperidin-4-yl)-3-fluorobenzenesulfonamide?
The InChIKey is HXFUPBFFLOAZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O2S/c1-2-17-7-5-10(6-8-17)16-20(18,19)11-3-4-13(15)12(14)9-11/h3-4,9-10,16H,2,5-8,15H2,1H3.
What are the key properties of 4-amino-N-(1-ethylpiperidin-4-yl)-3-fluorobenzenesulfonamide?
4-amino-N-(1-ethylpiperidin-4-yl)-3-fluorobenzenesulfonamide has a molecular weight of 301.39 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-ethylpiperidin-4-yl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 82844406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).