[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone

C18H20Cl2N2O4S — CID 26786935

IUPAC[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone
SMILESCc1oc(C)c(C(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)c1C
InChIInChI=1S/C18H20Cl2N2O4S/c1-11-12(2)26-13(3)16(11)18(23)21-7-9-22(10-8-21)27(24,25)17-14(19)5-4-6-15(17)20/h4-6H,7-10H2,1-3H3
InChIKeyCOFQKLRVCXHPAP-UHFFFAOYSA-N
MW431.34 g/mol
LogP3.66
Rot. Bonds3

About [4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone

[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone (PubChem CID 26786935) has the molecular formula C18H20Cl2N2O4S and a molecular weight of 431.34 g/mol. Its IUPAC name is [4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone.

Molecular Properties

Compound Name[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone
PubChem CID26786935
Molecular FormulaC18H20Cl2N2O4S
Molecular Weight431.34 g/mol
Exact Mass430.05
IUPAC Name[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone
SMILESCc1oc(C)c(C(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)c1C
InChIInChI=1S/C18H20Cl2N2O4S/c1-11-12(2)26-13(3)16(11)18(23)21-7-9-22(10-8-21)27(24,25)17-14(19)5-4-6-15(17)20/h4-6H,7-10H2,1-3H3
InChIKeyCOFQKLRVCXHPAP-UHFFFAOYSA-N
XLogP3.66
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.34
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 27757613
1-[4-[4-(2,4,5-trimethylfuran-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone
CID 26809221
[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 27757740
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone
CID 26765978
(4-chlorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 26181355
1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-1-one
CID 17440483
(3-chlorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 26181358
(5-chloro-2-fluorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 27757766
[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone
CID 27364501
(2-bromo-4-fluorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 26312772
[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
CID 167971537
2-amino-1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride
CID 119270072

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone?
The IUPAC name of [4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone (CID 26786935) is [4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone.
What is the SMILES notation for [4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone?
The canonical SMILES for [4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone is Cc1oc(C)c(C(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)c1C.
What is the InChIKey of [4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone?
The InChIKey is COFQKLRVCXHPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O4S/c1-11-12(2)26-13(3)16(11)18(23)21-7-9-22(10-8-21)27(24,25)17-14(19)5-4-6-15(17)20/h4-6H,7-10H2,1-3H3.
What are the key properties of [4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone?
[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone has a molecular weight of 431.34 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone is sourced from PubChem (CID 26786935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).