4-(2,4-dichloro-3-fluorophenyl)sulfonylpiperazin-2-one

C10H9Cl2FN2O3S — CID 103088756

IUPAC4-(2,4-dichloro-3-fluorophenyl)sulfonylpiperazin-2-one
SMILESO=C1CN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CCN1
InChIInChI=1S/C10H9Cl2FN2O3S/c11-6-1-2-7(9(12)10(6)13)19(17,18)15-4-3-14-8(16)5-15/h1-2H,3-5H2,(H,14,16)
InChIKeyCPBZLNPUMXQTDX-UHFFFAOYSA-N
MW327.16 g/mol
LogP1.25
Rot. Bonds2

About 4-(2,4-dichloro-3-fluorophenyl)sulfonylpiperazin-2-one

4-(2,4-dichloro-3-fluorophenyl)sulfonylpiperazin-2-one (PubChem CID 103088756) has the molecular formula C10H9Cl2FN2O3S and a molecular weight of 327.16 g/mol. Its IUPAC name is 4-(2,4-dichloro-3-fluorophenyl)sulfonylpiperazin-2-one.

Molecular Properties

Compound Name4-(2,4-dichloro-3-fluorophenyl)sulfonylpiperazin-2-one
PubChem CID103088756
Molecular FormulaC10H9Cl2FN2O3S
Molecular Weight327.16 g/mol
Exact Mass325.97
IUPAC Name4-(2,4-dichloro-3-fluorophenyl)sulfonylpiperazin-2-one
SMILESO=C1CN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CCN1
InChIInChI=1S/C10H9Cl2FN2O3S/c11-6-1-2-7(9(12)10(6)13)19(17,18)15-4-3-14-8(16)5-15/h1-2H,3-5H2,(H,14,16)
InChIKeyCPBZLNPUMXQTDX-UHFFFAOYSA-N
XLogP1.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.16
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-(bromomethyl)-1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidine
CID 103089679
4-(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylpiperazin-2-one
CID 103077171
5-(2,4-dichloro-3-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 103089094
N-[1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-4-ylidene]hydroxylamine
CID 103088337
(3R)-1-(2,4-dichloro-3-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 103088611
1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidine-4-carbonitrile
CID 91651723
4-(4-amino-2-bromophenyl)sulfonylpiperazin-2-one
CID 43255788
3-(bromomethyl)-1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidine
CID 103089696
N-(cyclopropylmethyl)-1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-4-amine
CID 120711470
(3S,4S)-1-(2,4-dichloro-3-fluorophenyl)sulfonyl-3-methylpiperidin-4-ol
CID 99828026
4-(4-tert-butylphenyl)sulfonylpiperazin-2-one
CID 2465157
4-(3-fluoro-2-nitrophenyl)sulfonylpiperazin-2-one
CID 47261545

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichloro-3-fluorophenyl)sulfonylpiperazin-2-one?
The IUPAC name of 4-(2,4-dichloro-3-fluorophenyl)sulfonylpiperazin-2-one (CID 103088756) is 4-(2,4-dichloro-3-fluorophenyl)sulfonylpiperazin-2-one.
What is the SMILES notation for 4-(2,4-dichloro-3-fluorophenyl)sulfonylpiperazin-2-one?
The canonical SMILES for 4-(2,4-dichloro-3-fluorophenyl)sulfonylpiperazin-2-one is O=C1CN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CCN1.
What is the InChIKey of 4-(2,4-dichloro-3-fluorophenyl)sulfonylpiperazin-2-one?
The InChIKey is CPBZLNPUMXQTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2FN2O3S/c11-6-1-2-7(9(12)10(6)13)19(17,18)15-4-3-14-8(16)5-15/h1-2H,3-5H2,(H,14,16).
What are the key properties of 4-(2,4-dichloro-3-fluorophenyl)sulfonylpiperazin-2-one?
4-(2,4-dichloro-3-fluorophenyl)sulfonylpiperazin-2-one has a molecular weight of 327.16 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichloro-3-fluorophenyl)sulfonylpiperazin-2-one is sourced from PubChem (CID 103088756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).