2,4-dichloro-6-(4-ethylpiperazin-1-yl)sulfonylphenol

C12H16Cl2N2O3S — CID 4912877

IUPAC2,4-dichloro-6-(4-ethylpiperazin-1-yl)sulfonylphenol
SMILESCCN1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2O)CC1
InChIInChI=1S/C12H16Cl2N2O3S/c1-2-15-3-5-16(6-4-15)20(18,19)11-8-9(13)7-10(14)12(11)17/h7-8,17H,2-6H2,1H3
InChIKeyWLBVOQKNXZSZOL-UHFFFAOYSA-N
MW339.24 g/mol
LogP2.03
Rot. Bonds3

About 2,4-dichloro-6-(4-ethylpiperazin-1-yl)sulfonylphenol

2,4-dichloro-6-(4-ethylpiperazin-1-yl)sulfonylphenol (PubChem CID 4912877) has the molecular formula C12H16Cl2N2O3S and a molecular weight of 339.24 g/mol. Its IUPAC name is 2,4-dichloro-6-(4-ethylpiperazin-1-yl)sulfonylphenol.

Molecular Properties

Compound Name2,4-dichloro-6-(4-ethylpiperazin-1-yl)sulfonylphenol
PubChem CID4912877
Molecular FormulaC12H16Cl2N2O3S
Molecular Weight339.24 g/mol
Exact Mass338.03
IUPAC Name2,4-dichloro-6-(4-ethylpiperazin-1-yl)sulfonylphenol
SMILESCCN1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2O)CC1
InChIInChI=1S/C12H16Cl2N2O3S/c1-2-15-3-5-16(6-4-15)20(18,19)11-8-9(13)7-10(14)12(11)17/h7-8,17H,2-6H2,1H3
InChIKeyWLBVOQKNXZSZOL-UHFFFAOYSA-N
XLogP2.03
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_A(43)', 'substructure': 'N/A'}

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Related Compounds

5-chloro-3-(4-ethylpiperazin-1-yl)sulfonyl-2-methylaniline
CID 114378540
1-ethyl-4-(2,4,5-trichlorophenyl)sulfonylpiperazine
CID 6469732
1-(4-bromo-2-chlorophenyl)sulfonyl-4-ethylpiperazine
CID 7975709
2,4-dichloro-6-[4-(3-methylphenyl)piperazin-1-yl]sulfonylphenol
CID 3598660
2,4-dichloro-6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenol
CID 23962785
1-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-N,N-diethylpiperidine-3-carboxamide
CID 3743179
1-(5-chloro-2-fluorophenyl)sulfonyl-4-ethylsulfonylpiperazine
CID 110819028
2,4-dichloro-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenol
CID 3810711
7-[4-(3,5-dichloro-2-hydroxyphenyl)sulfonylpiperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 22277586
1-[4-(5-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110817241
1-(2,5-dibromophenyl)sulfonyl-4-ethyl-1,4-diazepane
CID 56541645
3,5-Dichloro-2-hydroxybenzenesulfonic acid disodium salt
CID 87271498

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(4-ethylpiperazin-1-yl)sulfonylphenol?
The IUPAC name of 2,4-dichloro-6-(4-ethylpiperazin-1-yl)sulfonylphenol (CID 4912877) is 2,4-dichloro-6-(4-ethylpiperazin-1-yl)sulfonylphenol.
What is the SMILES notation for 2,4-dichloro-6-(4-ethylpiperazin-1-yl)sulfonylphenol?
The canonical SMILES for 2,4-dichloro-6-(4-ethylpiperazin-1-yl)sulfonylphenol is CCN1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2O)CC1.
What is the InChIKey of 2,4-dichloro-6-(4-ethylpiperazin-1-yl)sulfonylphenol?
The InChIKey is WLBVOQKNXZSZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O3S/c1-2-15-3-5-16(6-4-15)20(18,19)11-8-9(13)7-10(14)12(11)17/h7-8,17H,2-6H2,1H3.
What are the key properties of 2,4-dichloro-6-(4-ethylpiperazin-1-yl)sulfonylphenol?
2,4-dichloro-6-(4-ethylpiperazin-1-yl)sulfonylphenol has a molecular weight of 339.24 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(4-ethylpiperazin-1-yl)sulfonylphenol is sourced from PubChem (CID 4912877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).