4-(4-ethoxyphenyl)-N-ethyl-N-methylpiperazine-1-sulfonamide

C15H25N3O3S — CID 167248237

IUPAC4-(4-ethoxyphenyl)-N-ethyl-N-methylpiperazine-1-sulfonamide
SMILESCCOc1ccc(N2CCN(S(=O)(=O)N(C)CC)CC2)cc1
InChIInChI=1S/C15H25N3O3S/c1-4-16(3)22(19,20)18-12-10-17(11-13-18)14-6-8-15(9-7-14)21-5-2/h6-9H,4-5,10-13H2,1-3H3
InChIKeyGVHAUFLXERODJD-UHFFFAOYSA-N
MW327.45 g/mol
LogP1.40
Rot. Bonds6

About 4-(4-ethoxyphenyl)-N-ethyl-N-methylpiperazine-1-sulfonamide

4-(4-ethoxyphenyl)-N-ethyl-N-methylpiperazine-1-sulfonamide (PubChem CID 167248237) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-N-ethyl-N-methylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-N-ethyl-N-methylpiperazine-1-sulfonamide
PubChem CID167248237
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC Name4-(4-ethoxyphenyl)-N-ethyl-N-methylpiperazine-1-sulfonamide
SMILESCCOc1ccc(N2CCN(S(=O)(=O)N(C)CC)CC2)cc1
InChIInChI=1S/C15H25N3O3S/c1-4-16(3)22(19,20)18-12-10-17(11-13-18)14-6-8-15(9-7-14)21-5-2/h6-9H,4-5,10-13H2,1-3H3
InChIKeyGVHAUFLXERODJD-UHFFFAOYSA-N
XLogP1.40
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1306330
1-(4-ethoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113077498
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(4-ethoxyphenyl)piperazine
CID 113077495
methyl 3-[4-(4-ethoxyphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate
CID 3796308
4-ethoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide
CID 19798421
2-[4-(4-ethoxyphenyl)piperazin-1-yl]-2-oxoacetic acid
CID 94287158
1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(4-ethoxyphenyl)piperazine
CID 3667713
N-(2-cyanoethyl)-4-(4-fluorophenyl)-N-methylpiperazine-1-sulfonamide
CID 134043620
N-(2-cyanoethyl)-N-methyl-4-phenylpiperazine-1-sulfonamide
CID 35430981
2-[4-(4-ethoxyphenyl)piperazin-1-yl]acetonitrile
CID 82118336
N-cyclohexyl-4-(4-methoxyphenyl)-N-methylpiperazine-1-sulfonamide
CID 55565914
N,N-diethyl-4-(4-nitrophenyl)piperazine-1-sulfonamide
CID 31753109

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-N-ethyl-N-methylpiperazine-1-sulfonamide?
The IUPAC name of 4-(4-ethoxyphenyl)-N-ethyl-N-methylpiperazine-1-sulfonamide (CID 167248237) is 4-(4-ethoxyphenyl)-N-ethyl-N-methylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(4-ethoxyphenyl)-N-ethyl-N-methylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(4-ethoxyphenyl)-N-ethyl-N-methylpiperazine-1-sulfonamide is CCOc1ccc(N2CCN(S(=O)(=O)N(C)CC)CC2)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-N-ethyl-N-methylpiperazine-1-sulfonamide?
The InChIKey is GVHAUFLXERODJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-4-16(3)22(19,20)18-12-10-17(11-13-18)14-6-8-15(9-7-14)21-5-2/h6-9H,4-5,10-13H2,1-3H3.
What are the key properties of 4-(4-ethoxyphenyl)-N-ethyl-N-methylpiperazine-1-sulfonamide?
4-(4-ethoxyphenyl)-N-ethyl-N-methylpiperazine-1-sulfonamide has a molecular weight of 327.45 g/mol, XLogP of 1.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-N-ethyl-N-methylpiperazine-1-sulfonamide is sourced from PubChem (CID 167248237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).