4-(2-chloro-4-fluorophenyl)sulfonylpiperazine-2,6-dione

C10H8ClFN2O4S — CID 66083632

IUPAC4-(2-chloro-4-fluorophenyl)sulfonylpiperazine-2,6-dione
SMILESO=C1CN(S(=O)(=O)c2ccc(F)cc2Cl)CC(=O)N1
InChIInChI=1S/C10H8ClFN2O4S/c11-7-3-6(12)1-2-8(7)19(17,18)14-4-9(15)13-10(16)5-14/h1-3H,4-5H2,(H,13,15,16)
InChIKeyHIOYFYULYOXHHG-UHFFFAOYSA-N
MW306.70 g/mol
LogP0.13
Rot. Bonds2

About 4-(2-chloro-4-fluorophenyl)sulfonylpiperazine-2,6-dione

4-(2-chloro-4-fluorophenyl)sulfonylpiperazine-2,6-dione (PubChem CID 66083632) has the molecular formula C10H8ClFN2O4S and a molecular weight of 306.70 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenyl)sulfonylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenyl)sulfonylpiperazine-2,6-dione
PubChem CID66083632
Molecular FormulaC10H8ClFN2O4S
Molecular Weight306.70 g/mol
Exact Mass305.99
IUPAC Name4-(2-chloro-4-fluorophenyl)sulfonylpiperazine-2,6-dione
SMILESO=C1CN(S(=O)(=O)c2ccc(F)cc2Cl)CC(=O)N1
InChIInChI=1S/C10H8ClFN2O4S/c11-7-3-6(12)1-2-8(7)19(17,18)14-4-9(15)13-10(16)5-14/h1-3H,4-5H2,(H,13,15,16)
InChIKeyHIOYFYULYOXHHG-UHFFFAOYSA-N
XLogP0.13
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.70
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-4-fluorophenyl)sulfonylpiperazine;hydrochloride
CID 119961774
1-(2-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81103524
1-(2-chloro-4-fluorophenyl)sulfonyl-3-methylpiperidin-3-ol
CID 115872362
(3R)-1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 66291100
[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119963911
(3R)-1-(2-chloro-4-fluorophenyl)sulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 97239536
1-(2-chloro-4-fluorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
CID 120714306
(1R,5S)-8-(2-chloro-4-fluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-one
CID 124741429
1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971709
4-(2-chloro-5-fluorophenyl)piperazine-2,6-dione
CID 107531477
1-(2,4-dichlorophenyl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 2280565
[4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
CID 55558853

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenyl)sulfonylpiperazine-2,6-dione?
The IUPAC name of 4-(2-chloro-4-fluorophenyl)sulfonylpiperazine-2,6-dione (CID 66083632) is 4-(2-chloro-4-fluorophenyl)sulfonylpiperazine-2,6-dione.
What is the SMILES notation for 4-(2-chloro-4-fluorophenyl)sulfonylpiperazine-2,6-dione?
The canonical SMILES for 4-(2-chloro-4-fluorophenyl)sulfonylpiperazine-2,6-dione is O=C1CN(S(=O)(=O)c2ccc(F)cc2Cl)CC(=O)N1.
What is the InChIKey of 4-(2-chloro-4-fluorophenyl)sulfonylpiperazine-2,6-dione?
The InChIKey is HIOYFYULYOXHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O4S/c11-7-3-6(12)1-2-8(7)19(17,18)14-4-9(15)13-10(16)5-14/h1-3H,4-5H2,(H,13,15,16).
What are the key properties of 4-(2-chloro-4-fluorophenyl)sulfonylpiperazine-2,6-dione?
4-(2-chloro-4-fluorophenyl)sulfonylpiperazine-2,6-dione has a molecular weight of 306.70 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorophenyl)sulfonylpiperazine-2,6-dione is sourced from PubChem (CID 66083632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).