4-(4-amino-3-fluorophenyl)sulfonylpiperazine-2,6-dione

C10H10FN3O4S — CID 82843665

IUPAC4-(4-amino-3-fluorophenyl)sulfonylpiperazine-2,6-dione
SMILESNc1ccc(S(=O)(=O)N2CC(=O)NC(=O)C2)cc1F
InChIInChI=1S/C10H10FN3O4S/c11-7-3-6(1-2-8(7)12)19(17,18)14-4-9(15)13-10(16)5-14/h1-3H,4-5,12H2,(H,13,15,16)
InChIKeyJGELKUKRYLLJMT-UHFFFAOYSA-N
MW287.27 g/mol
LogP-0.94
Rot. Bonds2

About 4-(4-amino-3-fluorophenyl)sulfonylpiperazine-2,6-dione

4-(4-amino-3-fluorophenyl)sulfonylpiperazine-2,6-dione (PubChem CID 82843665) has the molecular formula C10H10FN3O4S and a molecular weight of 287.27 g/mol. Its IUPAC name is 4-(4-amino-3-fluorophenyl)sulfonylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(4-amino-3-fluorophenyl)sulfonylpiperazine-2,6-dione
PubChem CID82843665
Molecular FormulaC10H10FN3O4S
Molecular Weight287.27 g/mol
Exact Mass287.04
IUPAC Name4-(4-amino-3-fluorophenyl)sulfonylpiperazine-2,6-dione
SMILESNc1ccc(S(=O)(=O)N2CC(=O)NC(=O)C2)cc1F
InChIInChI=1S/C10H10FN3O4S/c11-7-3-6(1-2-8(7)12)19(17,18)14-4-9(15)13-10(16)5-14/h1-3H,4-5,12H2,(H,13,15,16)
InChIKeyJGELKUKRYLLJMT-UHFFFAOYSA-N
XLogP-0.94
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-amino-3-fluorophenyl)sulfonyl-3,3-dimethylpiperazine-2,6-dione
CID 82846168
4-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-2-fluoroaniline
CID 82844575
2-fluoro-4-(3,3,4-trimethylpiperazin-1-yl)sulfonylaniline
CID 82843883
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-fluoroaniline
CID 82844225
7-(4-amino-3-fluorophenyl)sulfonyl-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 82846171
2-fluoro-4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]aniline
CID 82843705
2-fluoro-4-(2,2,6-trimethylmorpholin-4-yl)sulfonylaniline
CID 82843726
2-fluoro-4-(4-methoxypiperidin-1-yl)sulfonylaniline
CID 82844541
4-[4-(aminomethyl)-3-methylphenyl]sulfonylpiperazine-2,6-dione
CID 106919481
4-[(6-oxo-1H-pyridin-3-yl)sulfonyl]piperazine-2,6-dione
CID 66063399
2-[1-(4-amino-3-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 114796820
5-(3,5-dioxopiperazin-1-yl)sulfonyl-2-hydroxybenzoic acid
CID 66085075

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-fluorophenyl)sulfonylpiperazine-2,6-dione?
The IUPAC name of 4-(4-amino-3-fluorophenyl)sulfonylpiperazine-2,6-dione (CID 82843665) is 4-(4-amino-3-fluorophenyl)sulfonylpiperazine-2,6-dione.
What is the SMILES notation for 4-(4-amino-3-fluorophenyl)sulfonylpiperazine-2,6-dione?
The canonical SMILES for 4-(4-amino-3-fluorophenyl)sulfonylpiperazine-2,6-dione is Nc1ccc(S(=O)(=O)N2CC(=O)NC(=O)C2)cc1F.
What is the InChIKey of 4-(4-amino-3-fluorophenyl)sulfonylpiperazine-2,6-dione?
The InChIKey is JGELKUKRYLLJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O4S/c11-7-3-6(1-2-8(7)12)19(17,18)14-4-9(15)13-10(16)5-14/h1-3H,4-5,12H2,(H,13,15,16).
What are the key properties of 4-(4-amino-3-fluorophenyl)sulfonylpiperazine-2,6-dione?
4-(4-amino-3-fluorophenyl)sulfonylpiperazine-2,6-dione has a molecular weight of 287.27 g/mol, XLogP of -0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-fluorophenyl)sulfonylpiperazine-2,6-dione is sourced from PubChem (CID 82843665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).