[4-(4-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone

C15H18ClFN2O4S — CID 51169379

IUPAC[4-(4-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2F)CC1
InChIInChI=1S/C15H18ClFN2O4S/c16-11-3-4-14(12(17)10-11)24(21,22)19-7-5-18(6-8-19)15(20)13-2-1-9-23-13/h3-4,10,13H,1-2,5-9H2
InChIKeyFROZFBFHGVAQIG-UHFFFAOYSA-N
MW376.84 g/mol
LogP1.49
Rot. Bonds3

About [4-(4-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone

[4-(4-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 51169379) has the molecular formula C15H18ClFN2O4S and a molecular weight of 376.84 g/mol. Its IUPAC name is [4-(4-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID51169379
Molecular FormulaC15H18ClFN2O4S
Molecular Weight376.84 g/mol
Exact Mass376.07
IUPAC Name[4-(4-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2F)CC1
InChIInChI=1S/C15H18ClFN2O4S/c16-11-3-4-14(12(17)10-11)24(21,22)19-7-5-18(6-8-19)15(20)13-2-1-9-23-13/h3-4,10,13H,1-2,5-9H2
InChIKeyFROZFBFHGVAQIG-UHFFFAOYSA-N
XLogP1.49
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 55352620
[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 47027374
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 9370296
[4-(2,4-dichlorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 113080191
[4-[(3,4-dichlorophenyl)methylsulfonyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 56513256
[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 55344290
1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-ol
CID 43394316
N-(4-chloro-2-fluorophenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetamide
CID 40952888
1-(4-chloro-2-fluorophenyl)sulfonylpiperidine
CID 60639529
[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 22772856
N-(3-chloro-4-fluorophenyl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carbothioamide
CID 2030671
[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 51983158

Frequently Asked Questions

What is the IUPAC name of [4-(4-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(4-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone (CID 51169379) is [4-(4-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(4-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(4-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone is O=C(C1CCCO1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2F)CC1.
What is the InChIKey of [4-(4-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is FROZFBFHGVAQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2O4S/c16-11-3-4-14(12(17)10-11)24(21,22)19-7-5-18(6-8-19)15(20)13-2-1-9-23-13/h3-4,10,13H,1-2,5-9H2.
What are the key properties of [4-(4-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone?
[4-(4-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 376.84 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 51169379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).