[4-(benzenesulfonyl)piperazin-1-yl]-(2-ethyl-3-methylquinolin-4-yl)methanone

C23H25N3O3S — CID 55339510

IUPAC[4-(benzenesulfonyl)piperazin-1-yl]-(2-ethyl-3-methylquinolin-4-yl)methanone
SMILESCCc1nc2ccccc2c(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1C
InChIInChI=1S/C23H25N3O3S/c1-3-20-17(2)22(19-11-7-8-12-21(19)24-20)23(27)25-13-15-26(16-14-25)30(28,29)18-9-5-4-6-10-18/h4-12H,3,13-16H2,1-2H3
InChIKeyPMFFILTWRGEXFR-UHFFFAOYSA-N
MW423.54 g/mol
LogP3.25
Rot. Bonds4

About [4-(benzenesulfonyl)piperazin-1-yl]-(2-ethyl-3-methylquinolin-4-yl)methanone

[4-(benzenesulfonyl)piperazin-1-yl]-(2-ethyl-3-methylquinolin-4-yl)methanone (PubChem CID 55339510) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is [4-(benzenesulfonyl)piperazin-1-yl]-(2-ethyl-3-methylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[4-(benzenesulfonyl)piperazin-1-yl]-(2-ethyl-3-methylquinolin-4-yl)methanone
PubChem CID55339510
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name[4-(benzenesulfonyl)piperazin-1-yl]-(2-ethyl-3-methylquinolin-4-yl)methanone
SMILESCCc1nc2ccccc2c(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1C
InChIInChI=1S/C23H25N3O3S/c1-3-20-17(2)22(19-11-7-8-12-21(19)24-20)23(27)25-13-15-26(16-14-25)30(28,29)18-9-5-4-6-10-18/h4-12H,3,13-16H2,1-2H3
InChIKeyPMFFILTWRGEXFR-UHFFFAOYSA-N
XLogP3.25
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(benzenesulfonyl)piperazin-1-yl]-(2-ethyl-3-methylquinolin-4-yl)methanone with MolForge

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Related Compounds

[4-(benzenesulfonyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 38071484
[4-(benzenesulfonyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone
CID 2225542
[4-(benzenesulfonyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone
CID 1261213
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(3-methylquinoxalin-2-yl)methylsulfanyl]propan-1-one
CID 42896335
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-methylsulfanylethanone
CID 26865936
ethyl 2-[[1-(benzenesulfonyl)piperidine-4-carbonyl]oxymethyl]-4-methylquinoline-3-carboxylate
CID 55309589
[4-(benzenesulfonyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 9495959
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 7921209
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]methanone
CID 9378872
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 17191200
[4-(benzenesulfonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 1148025
1-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-3-(2-methylquinolin-4-yl)urea
CID 11465185

Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-(2-ethyl-3-methylquinolin-4-yl)methanone?
The IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-(2-ethyl-3-methylquinolin-4-yl)methanone (CID 55339510) is [4-(benzenesulfonyl)piperazin-1-yl]-(2-ethyl-3-methylquinolin-4-yl)methanone.
What is the SMILES notation for [4-(benzenesulfonyl)piperazin-1-yl]-(2-ethyl-3-methylquinolin-4-yl)methanone?
The canonical SMILES for [4-(benzenesulfonyl)piperazin-1-yl]-(2-ethyl-3-methylquinolin-4-yl)methanone is CCc1nc2ccccc2c(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1C.
What is the InChIKey of [4-(benzenesulfonyl)piperazin-1-yl]-(2-ethyl-3-methylquinolin-4-yl)methanone?
The InChIKey is PMFFILTWRGEXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-3-20-17(2)22(19-11-7-8-12-21(19)24-20)23(27)25-13-15-26(16-14-25)30(28,29)18-9-5-4-6-10-18/h4-12H,3,13-16H2,1-2H3.
What are the key properties of [4-(benzenesulfonyl)piperazin-1-yl]-(2-ethyl-3-methylquinolin-4-yl)methanone?
[4-(benzenesulfonyl)piperazin-1-yl]-(2-ethyl-3-methylquinolin-4-yl)methanone has a molecular weight of 423.54 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)piperazin-1-yl]-(2-ethyl-3-methylquinolin-4-yl)methanone is sourced from PubChem (CID 55339510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).