(4-hydroxyphenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone

C20H24N2O4S — CID 112765347

IUPAC(4-hydroxyphenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCCCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)cc1
InChIInChI=1S/C20H24N2O4S/c1-2-3-16-4-10-19(11-5-16)27(25,26)22-14-12-21(13-15-22)20(24)17-6-8-18(23)9-7-17/h4-11,23H,2-3,12-15H2,1H3
InChIKeyFHYCJXLYAAYQTR-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.49
Rot. Bonds5

About (4-hydroxyphenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone

(4-hydroxyphenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 112765347) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is (4-hydroxyphenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-hydroxyphenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID112765347
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name(4-hydroxyphenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCCCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)cc1
InChIInChI=1S/C20H24N2O4S/c1-2-3-16-4-10-19(11-5-16)27(25,26)22-14-12-21(13-15-22)20(24)17-6-8-18(23)9-7-17/h4-11,23H,2-3,12-15H2,1H3
InChIKeyFHYCJXLYAAYQTR-UHFFFAOYSA-N
XLogP2.49
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylsulfanylphenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone
CID 8624100
acetic acid;4-[4-(4-propylphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide
CID 162315952
[4-(4-butylphenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone
CID 25237055
(3-aminophenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride
CID 119686746
(4-propylphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 47886259
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
1-[4-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]sulfonylphenyl]ethanone
CID 8623677
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 8638842
3-methyl-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]but-2-en-1-one
CID 9246642
(4-ethylphenyl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 26181741
(4-ethoxyphenyl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 9496560

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (4-hydroxyphenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone (CID 112765347) is (4-hydroxyphenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (4-hydroxyphenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (4-hydroxyphenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone is CCCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)cc1.
What is the InChIKey of (4-hydroxyphenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is FHYCJXLYAAYQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-2-3-16-4-10-19(11-5-16)27(25,26)22-14-12-21(13-15-22)20(24)17-6-8-18(23)9-7-17/h4-11,23H,2-3,12-15H2,1H3.
What are the key properties of (4-hydroxyphenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone?
(4-hydroxyphenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 388.49 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 112765347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).