[5-[(4-chlorophenyl)sulfinylmethyl]furan-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

C22H20ClFN2O3S — CID 20859513

IUPAC[5-[(4-chlorophenyl)sulfinylmethyl]furan-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(CS(=O)c2ccc(Cl)cc2)o1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H20ClFN2O3S/c23-16-1-8-20(9-2-16)30(28)15-19-7-10-21(29-19)22(27)26-13-11-25(12-14-26)18-5-3-17(24)4-6-18/h1-10H,11-15H2
InChIKeyWGOPWBUNDMSRGX-UHFFFAOYSA-N
MW446.93 g/mol
LogP4.34
Rot. Bonds5

About [5-[(4-chlorophenyl)sulfinylmethyl]furan-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

[5-[(4-chlorophenyl)sulfinylmethyl]furan-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 20859513) has the molecular formula C22H20ClFN2O3S and a molecular weight of 446.93 g/mol. Its IUPAC name is [5-[(4-chlorophenyl)sulfinylmethyl]furan-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-[(4-chlorophenyl)sulfinylmethyl]furan-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID20859513
Molecular FormulaC22H20ClFN2O3S
Molecular Weight446.93 g/mol
Exact Mass446.09
IUPAC Name[5-[(4-chlorophenyl)sulfinylmethyl]furan-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(CS(=O)c2ccc(Cl)cc2)o1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H20ClFN2O3S/c23-16-1-8-20(9-2-16)30(28)15-19-7-10-21(29-19)22(27)26-13-11-25(12-14-26)18-5-3-17(24)4-6-18/h1-10H,11-15H2
InChIKeyWGOPWBUNDMSRGX-UHFFFAOYSA-N
XLogP4.34
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.93
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[5-[(4-chlorophenyl)sulfinylmethyl]furan-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 22554672
[5-[(2-chlorophenyl)sulfinylmethyl]furan-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 22554570
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[5-[[(R)-(4-fluorophenyl)sulfinyl]methyl]furan-2-yl]methanone
CID 92687517
[4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 873857
[5-[(4-fluorophenoxy)methyl]furan-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 55334172
[4-(4-chlorophenyl)piperazin-1-yl]-[5-[(2-prop-2-enylphenoxy)methyl]furan-2-yl]methanone
CID 95754485
[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 45014849
5-[(4-fluorophenyl)sulfinylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 20899284
N-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 108891864
2-[(4-chlorophenyl)methylamino]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 108998099
[5-[(2-chlorophenyl)sulfinylmethyl]furan-2-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 22554569
[4-(4-chlorophenyl)piperazin-1-yl]-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]methanone
CID 71511351

Frequently Asked Questions

What is the IUPAC name of [5-[(4-chlorophenyl)sulfinylmethyl]furan-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [5-[(4-chlorophenyl)sulfinylmethyl]furan-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 20859513) is [5-[(4-chlorophenyl)sulfinylmethyl]furan-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-[(4-chlorophenyl)sulfinylmethyl]furan-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [5-[(4-chlorophenyl)sulfinylmethyl]furan-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is O=C(c1ccc(CS(=O)c2ccc(Cl)cc2)o1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [5-[(4-chlorophenyl)sulfinylmethyl]furan-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is WGOPWBUNDMSRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN2O3S/c23-16-1-8-20(9-2-16)30(28)15-19-7-10-21(29-19)22(27)26-13-11-25(12-14-26)18-5-3-17(24)4-6-18/h1-10H,11-15H2.
What are the key properties of [5-[(4-chlorophenyl)sulfinylmethyl]furan-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
[5-[(4-chlorophenyl)sulfinylmethyl]furan-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 446.93 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-chlorophenyl)sulfinylmethyl]furan-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 20859513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).