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

C20H22ClFN2O3S — CID 112765367

IUPAC(2-chloro-4-fluorophenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCCCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)cc1
InChIInChI=1S/C20H22ClFN2O3S/c1-2-3-15-4-7-17(8-5-15)28(26,27)24-12-10-23(11-13-24)20(25)18-9-6-16(22)14-19(18)21/h4-9,14H,2-3,10-13H2,1H3
InChIKeyKEGZSUPYHWGWLO-UHFFFAOYSA-N
MW424.93 g/mol
LogP3.58
Rot. Bonds5

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

(2-chloro-4-fluorophenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 112765367) has the molecular formula C20H22ClFN2O3S and a molecular weight of 424.93 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID112765367
Molecular FormulaC20H22ClFN2O3S
Molecular Weight424.93 g/mol
Exact Mass424.10
IUPAC Name(2-chloro-4-fluorophenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCCCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)cc1
InChIInChI=1S/C20H22ClFN2O3S/c1-2-3-15-4-7-17(8-5-15)28(26,27)24-12-10-23(11-13-24)20(25)18-9-6-16(22)14-19(18)21/h4-9,14H,2-3,10-13H2,1H3
InChIKeyKEGZSUPYHWGWLO-UHFFFAOYSA-N
XLogP3.58
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 56511078
(4-hydroxyphenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone
CID 112765347
(4-methylsulfanylphenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone
CID 8624100
(2,4-dichlorophenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 4807172
4-(2-chloro-4-fluorobenzoyl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide
CID 47088374
(2-chloro-4-fluorophenyl)-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 6470865
2-amino-1-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]pentan-1-one
CID 119307835
2-methyl-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110817473
2-amino-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 119269764
(3-aminophenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride
CID 119686746
acetic acid;3-methyl-4-[4-(4-propylphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide
CID 162319118
(2-chloro-4-fluorophenyl)-[4-(2,5-dibromophenyl)sulfonylpiperazin-1-yl]methanone
CID 6735588

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (2-chloro-4-fluorophenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone (CID 112765367) is (2-chloro-4-fluorophenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (2-chloro-4-fluorophenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone is CCCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)cc1.
What is the InChIKey of (2-chloro-4-fluorophenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is KEGZSUPYHWGWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O3S/c1-2-3-15-4-7-17(8-5-15)28(26,27)24-12-10-23(11-13-24)20(25)18-9-6-16(22)14-19(18)21/h4-9,14H,2-3,10-13H2,1H3.
What are the key properties of (2-chloro-4-fluorophenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone?
(2-chloro-4-fluorophenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 424.93 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 112765367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).