[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[4-(4-fluorophenyl)oxan-4-yl]methanone

C20H22ClFN2O4S2 — CID 60582683

IUPAC[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[4-(4-fluorophenyl)oxan-4-yl]methanone
SMILESO=C(N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)C1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C20H22ClFN2O4S2/c21-17-5-6-18(29-17)30(26,27)24-11-9-23(10-12-24)19(25)20(7-13-28-14-8-20)15-1-3-16(22)4-2-15/h1-6H,7-14H2
InChIKeyLMZGJJQMCGRDRD-UHFFFAOYSA-N
MW472.99 g/mol
LogP3.12
Rot. Bonds4

About [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[4-(4-fluorophenyl)oxan-4-yl]methanone

[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[4-(4-fluorophenyl)oxan-4-yl]methanone (PubChem CID 60582683) has the molecular formula C20H22ClFN2O4S2 and a molecular weight of 472.99 g/mol. Its IUPAC name is [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[4-(4-fluorophenyl)oxan-4-yl]methanone.

Molecular Properties

Compound Name[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[4-(4-fluorophenyl)oxan-4-yl]methanone
PubChem CID60582683
Molecular FormulaC20H22ClFN2O4S2
Molecular Weight472.99 g/mol
Exact Mass472.07
IUPAC Name[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[4-(4-fluorophenyl)oxan-4-yl]methanone
SMILESO=C(N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)C1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C20H22ClFN2O4S2/c21-17-5-6-18(29-17)30(26,27)24-11-9-23(10-12-24)19(25)20(7-13-28-14-8-20)15-1-3-16(22)4-2-15/h1-6H,7-14H2
InChIKeyLMZGJJQMCGRDRD-UHFFFAOYSA-N
XLogP3.12
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.99
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[4-(4-fluorophenyl)oxan-4-yl]methanone with MolForge

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Related Compounds

[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(oxan-4-yl)methanone
CID 31137350
(2-chloro-4-fluorophenyl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 6470865
[4-(benzenesulfonyl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 39906268
[4-(benzenesulfonyl)piperazin-1-yl]-[1-(4-fluorophenyl)cyclobutyl]methanone
CID 46561290
4-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperazine-1-sulfonamide
CID 51133844
[4-(4-fluorophenyl)oxan-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 91959193
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(3-fluorophenyl)methanone
CID 7944521
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[4-(4-fluorophenyl)oxan-4-yl]methanone
CID 71921143
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-cyclopentylethanone
CID 7972513
[4-(4-fluorophenyl)oxan-4-yl]-(3-methylpiperazin-1-yl)methanone
CID 119576546
[1-(4-fluorophenyl)cyclopropyl]-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 30783883
4-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-6-(4-fluorophenyl)pyrimidine
CID 121107498

Frequently Asked Questions

What is the IUPAC name of [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[4-(4-fluorophenyl)oxan-4-yl]methanone?
The IUPAC name of [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[4-(4-fluorophenyl)oxan-4-yl]methanone (CID 60582683) is [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[4-(4-fluorophenyl)oxan-4-yl]methanone.
What is the SMILES notation for [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[4-(4-fluorophenyl)oxan-4-yl]methanone?
The canonical SMILES for [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[4-(4-fluorophenyl)oxan-4-yl]methanone is O=C(N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)C1(c2ccc(F)cc2)CCOCC1.
What is the InChIKey of [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[4-(4-fluorophenyl)oxan-4-yl]methanone?
The InChIKey is LMZGJJQMCGRDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O4S2/c21-17-5-6-18(29-17)30(26,27)24-11-9-23(10-12-24)19(25)20(7-13-28-14-8-20)15-1-3-16(22)4-2-15/h1-6H,7-14H2.
What are the key properties of [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[4-(4-fluorophenyl)oxan-4-yl]methanone?
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[4-(4-fluorophenyl)oxan-4-yl]methanone has a molecular weight of 472.99 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-[4-(4-fluorophenyl)oxan-4-yl]methanone is sourced from PubChem (CID 60582683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).