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

C21H19ClN2O5S — CID 22554672

IUPAC[4-[5-[(4-chlorophenyl)sulfinylmethyl]furan-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(C(=O)c2ccc(CS(=O)c3ccc(Cl)cc3)o2)CC1
InChIInChI=1S/C21H19ClN2O5S/c22-15-3-6-17(7-4-15)30(27)14-16-5-8-19(29-16)21(26)24-11-9-23(10-12-24)20(25)18-2-1-13-28-18/h1-8,13H,9-12,14H2
InChIKeyLVCMOVLSIDLTIZ-UHFFFAOYSA-N
MW446.91 g/mol
LogP3.43
Rot. Bonds5

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

[4-[5-[(4-chlorophenyl)sulfinylmethyl]furan-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 22554672) has the molecular formula C21H19ClN2O5S and a molecular weight of 446.91 g/mol. Its IUPAC name is [4-[5-[(4-chlorophenyl)sulfinylmethyl]furan-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[5-[(4-chlorophenyl)sulfinylmethyl]furan-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID22554672
Molecular FormulaC21H19ClN2O5S
Molecular Weight446.91 g/mol
Exact Mass446.07
IUPAC Name[4-[5-[(4-chlorophenyl)sulfinylmethyl]furan-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(C(=O)c2ccc(CS(=O)c3ccc(Cl)cc3)o2)CC1
InChIInChI=1S/C21H19ClN2O5S/c22-15-3-6-17(7-4-15)30(27)14-16-5-8-19(29-16)21(26)24-11-9-23(10-12-24)20(25)18-2-1-13-28-18/h1-8,13H,9-12,14H2
InChIKeyLVCMOVLSIDLTIZ-UHFFFAOYSA-N
XLogP3.43
TPSA83.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.91
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[5-[(4-chlorophenyl)sulfinylmethyl]furan-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone with MolForge

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Related Compounds

[5-[(4-chlorophenyl)sulfinylmethyl]furan-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 20859513
furan-2-yl-[4-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]piperazin-1-yl]methanone
CID 35523602
1-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 110358782
[5-[(2-chlorophenyl)sulfinylmethyl]furan-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 22554570
[4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 46445280
[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 78789988
N-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 6470859
[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 7342085
2-(2,5-dichlorophenyl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 2350113
[4-[(3,4-dichlorophenyl)methylsulfonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 56578801
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[5-[[(R)-(4-fluorophenyl)sulfinyl]methyl]furan-2-yl]methanone
CID 92687517
[5-[(4-chloropyrazol-1-yl)methyl]furan-2-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 44820904

Frequently Asked Questions

What is the IUPAC name of [4-[5-[(4-chlorophenyl)sulfinylmethyl]furan-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[5-[(4-chlorophenyl)sulfinylmethyl]furan-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone (CID 22554672) is [4-[5-[(4-chlorophenyl)sulfinylmethyl]furan-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[5-[(4-chlorophenyl)sulfinylmethyl]furan-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[5-[(4-chlorophenyl)sulfinylmethyl]furan-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCN(C(=O)c2ccc(CS(=O)c3ccc(Cl)cc3)o2)CC1.
What is the InChIKey of [4-[5-[(4-chlorophenyl)sulfinylmethyl]furan-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is LVCMOVLSIDLTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O5S/c22-15-3-6-17(7-4-15)30(27)14-16-5-8-19(29-16)21(26)24-11-9-23(10-12-24)20(25)18-2-1-13-28-18/h1-8,13H,9-12,14H2.
What are the key properties of [4-[5-[(4-chlorophenyl)sulfinylmethyl]furan-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[5-[(4-chlorophenyl)sulfinylmethyl]furan-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 446.91 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[(4-chlorophenyl)sulfinylmethyl]furan-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 22554672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).