4-amino-3-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide

C12H16FN3O3S — CID 82843888

IUPAC4-amino-3-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
SMILESCN1CC(NS(=O)(=O)c2ccc(N)c(F)c2)CCC1=O
InChIInChI=1S/C12H16FN3O3S/c1-16-7-8(2-5-12(16)17)15-20(18,19)9-3-4-11(14)10(13)6-9/h3-4,6,8,15H,2,5,7,14H2,1H3
InChIKeyRQFGWWHAUFKJQZ-UHFFFAOYSA-N
MW301.34 g/mol
LogP0.31
Rot. Bonds3

About 4-amino-3-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide

4-amino-3-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide (PubChem CID 82843888) has the molecular formula C12H16FN3O3S and a molecular weight of 301.34 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
PubChem CID82843888
Molecular FormulaC12H16FN3O3S
Molecular Weight301.34 g/mol
Exact Mass301.09
IUPAC Name4-amino-3-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
SMILESCN1CC(NS(=O)(=O)c2ccc(N)c(F)c2)CCC1=O
InChIInChI=1S/C12H16FN3O3S/c1-16-7-8(2-5-12(16)17)15-20(18,19)9-3-4-11(14)10(13)6-9/h3-4,6,8,15H,2,5,7,14H2,1H3
InChIKeyRQFGWWHAUFKJQZ-UHFFFAOYSA-N
XLogP0.31
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide?
The IUPAC name of 4-amino-3-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide (CID 82843888) is 4-amino-3-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-3-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide is CN1CC(NS(=O)(=O)c2ccc(N)c(F)c2)CCC1=O.
What is the InChIKey of 4-amino-3-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide?
The InChIKey is RQFGWWHAUFKJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O3S/c1-16-7-8(2-5-12(16)17)15-20(18,19)9-3-4-11(14)10(13)6-9/h3-4,6,8,15H,2,5,7,14H2,1H3.
What are the key properties of 4-amino-3-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide?
4-amino-3-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide has a molecular weight of 301.34 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 82843888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).