5-amino-2-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide

C12H16FN3O3S — CID 64654475

IUPAC5-amino-2-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
SMILESCN1CC(NS(=O)(=O)c2cc(N)ccc2F)CCC1=O
InChIInChI=1S/C12H16FN3O3S/c1-16-7-9(3-5-12(16)17)15-20(18,19)11-6-8(14)2-4-10(11)13/h2,4,6,9,15H,3,5,7,14H2,1H3
InChIKeyVMPVJDQARDGLQD-UHFFFAOYSA-N
MW301.34 g/mol
LogP0.31
Rot. Bonds3

About 5-amino-2-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide

5-amino-2-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide (PubChem CID 64654475) has the molecular formula C12H16FN3O3S and a molecular weight of 301.34 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
PubChem CID64654475
Molecular FormulaC12H16FN3O3S
Molecular Weight301.34 g/mol
Exact Mass301.09
IUPAC Name5-amino-2-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
SMILESCN1CC(NS(=O)(=O)c2cc(N)ccc2F)CCC1=O
InChIInChI=1S/C12H16FN3O3S/c1-16-7-9(3-5-12(16)17)15-20(18,19)11-6-8(14)2-4-10(11)13/h2,4,6,9,15H,3,5,7,14H2,1H3
InChIKeyVMPVJDQARDGLQD-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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Related Compounds

4-amino-3-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
CID 82843888
4-hydroxy-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
CID 64670246
1-(4-aminophenyl)-N-(1-methyl-6-oxopiperidin-3-yl)methanesulfonamide
CID 64655698
3-amino-1-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrazole-4-sulfonamide
CID 64656103
5-amino-2-methyl-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 64655482
4-acetyl-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
CID 64669034
5-(6-amino-2,3-difluoroanilino)-1-methylpiperidin-2-one
CID 64656316
4-amino-3-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 64655889
5-amino-2-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 60855213
4-amino-2-[(1-methyl-6-oxopiperidin-3-yl)amino]benzamide
CID 64654110
2-amino-N-(1-methyl-6-oxopiperidin-3-yl)ethanesulfonamide
CID 64669398
2-amino-N-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide
CID 80641727

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide?
The IUPAC name of 5-amino-2-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide (CID 64654475) is 5-amino-2-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide is CN1CC(NS(=O)(=O)c2cc(N)ccc2F)CCC1=O.
What is the InChIKey of 5-amino-2-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide?
The InChIKey is VMPVJDQARDGLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O3S/c1-16-7-9(3-5-12(16)17)15-20(18,19)11-6-8(14)2-4-10(11)13/h2,4,6,9,15H,3,5,7,14H2,1H3.
What are the key properties of 5-amino-2-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide?
5-amino-2-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 5-amino-2-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 64654475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).