[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide

C20H25N3O3S — CID 120740222

IUPAC[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
SMILESCCc1ccc(C2CNCCN2C(=O)c2cccc(CS(N)(=O)=O)c2)cc1
InChIInChI=1S/C20H25N3O3S/c1-2-15-6-8-17(9-7-15)19-13-22-10-11-23(19)20(24)18-5-3-4-16(12-18)14-27(21,25)26/h3-9,12,19,22H,2,10-11,13-14H2,1H3,(H2,21,25,26)
InChIKeyCHUAXDODXQVNPV-UHFFFAOYSA-N
MW387.51 g/mol
LogP1.82
Rot. Bonds5

About [3-[2-(4-ethylphenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide

[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide (PubChem CID 120740222) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is [3-[2-(4-ethylphenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide.

Molecular Properties

Compound Name[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
PubChem CID120740222
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
SMILESCCc1ccc(C2CNCCN2C(=O)c2cccc(CS(N)(=O)=O)c2)cc1
InChIInChI=1S/C20H25N3O3S/c1-2-15-6-8-17(9-7-15)19-13-22-10-11-23(19)20(24)18-5-3-4-16(12-18)14-27(21,25)26/h3-9,12,19,22H,2,10-11,13-14H2,1H3,(H2,21,25,26)
InChIKeyCHUAXDODXQVNPV-UHFFFAOYSA-N
XLogP1.82
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 120729515
1-[[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride
CID 120741192
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120740508
[2-(4-ethylphenyl)piperazin-1-yl]-(3-imidazol-1-ylphenyl)methanone
CID 120740821
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide;hydrochloride
CID 120740299
[2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 120740519
[2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride
CID 120740518
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidine-1-sulfonamide;hydrochloride
CID 120740686
[2-(4-ethylphenyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone;hydrochloride
CID 120741506
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylsulfonylethanone
CID 120741179
(3-fluorophenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone
CID 94997806
[2-(4-ethylphenyl)piperazin-1-yl]-(1-ethylpyrazol-4-yl)methanone
CID 120740889

Frequently Asked Questions

What is the IUPAC name of [3-[2-(4-ethylphenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide?
The IUPAC name of [3-[2-(4-ethylphenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide (CID 120740222) is [3-[2-(4-ethylphenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide.
What is the SMILES notation for [3-[2-(4-ethylphenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide?
The canonical SMILES for [3-[2-(4-ethylphenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide is CCc1ccc(C2CNCCN2C(=O)c2cccc(CS(N)(=O)=O)c2)cc1.
What is the InChIKey of [3-[2-(4-ethylphenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide?
The InChIKey is CHUAXDODXQVNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-2-15-6-8-17(9-7-15)19-13-22-10-11-23(19)20(24)18-5-3-4-16(12-18)14-27(21,25)26/h3-9,12,19,22H,2,10-11,13-14H2,1H3,(H2,21,25,26).
What are the key properties of [3-[2-(4-ethylphenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide?
[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide has a molecular weight of 387.51 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(4-ethylphenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide is sourced from PubChem (CID 120740222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).