(2,2-dichlorocyclopropyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone

C14H15Cl2FN2O3S — CID 78780160

IUPAC(2,2-dichlorocyclopropyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(C1CC1(Cl)Cl)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C14H15Cl2FN2O3S/c15-14(16)9-10(14)13(20)18-5-7-19(8-6-18)23(21,22)12-4-2-1-3-11(12)17/h1-4,10H,5-9H2
InChIKeyJIVFQIFHYKUKIZ-UHFFFAOYSA-N
MW381.26 g/mol
LogP1.85
Rot. Bonds3

About (2,2-dichlorocyclopropyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone

(2,2-dichlorocyclopropyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 78780160) has the molecular formula C14H15Cl2FN2O3S and a molecular weight of 381.26 g/mol. Its IUPAC name is (2,2-dichlorocyclopropyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,2-dichlorocyclopropyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID78780160
Molecular FormulaC14H15Cl2FN2O3S
Molecular Weight381.26 g/mol
Exact Mass380.02
IUPAC Name(2,2-dichlorocyclopropyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(C1CC1(Cl)Cl)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C14H15Cl2FN2O3S/c15-14(16)9-10(14)13(20)18-5-7-19(8-6-18)23(21,22)12-4-2-1-3-11(12)17/h1-4,10H,5-9H2
InChIKeyJIVFQIFHYKUKIZ-UHFFFAOYSA-N
XLogP1.85
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2,2-dichlorocyclopropyl)methanone
CID 24654557
(3S)-3-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]-3,4-dihydroisochromen-1-one
CID 8570486
1-[3-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 4967697
1-(1-adamantyl)-4-(2-fluorophenyl)sulfonylpiperazine;hydrochloride
CID 163331836
[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(1-oxidopyridin-1-ium-4-yl)methanone
CID 27163251
2-(4-bromophenyl)sulfanyl-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 4816176
N-(1-cyclopropylethyl)-4-(2-fluorophenyl)sulfonylpiperazine-1-carboxamide
CID 17449698
methyl 2-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylacetate
CID 18201955
(2-chloro-4-pyridinyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 38120168
(4-chloro-2-pyridinyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 16560830
[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 4807256
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-phenylacetamide
CID 40702187

Frequently Asked Questions

What is the IUPAC name of (2,2-dichlorocyclopropyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (2,2-dichlorocyclopropyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone (CID 78780160) is (2,2-dichlorocyclopropyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (2,2-dichlorocyclopropyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (2,2-dichlorocyclopropyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone is O=C(C1CC1(Cl)Cl)N1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of (2,2-dichlorocyclopropyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is JIVFQIFHYKUKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2FN2O3S/c15-14(16)9-10(14)13(20)18-5-7-19(8-6-18)23(21,22)12-4-2-1-3-11(12)17/h1-4,10H,5-9H2.
What are the key properties of (2,2-dichlorocyclopropyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
(2,2-dichlorocyclopropyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 381.26 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dichlorocyclopropyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 78780160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).