2,6-dichloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]benzenesulfonamide

C18H21Cl2N3O2S — CID 17486851

IUPAC2,6-dichloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]benzenesulfonamide
SMILESCCN1CCN(c2ccccc2NS(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C18H21Cl2N3O2S/c1-2-22-10-12-23(13-11-22)17-9-4-3-8-16(17)21-26(24,25)18-14(19)6-5-7-15(18)20/h3-9,21H,2,10-13H2,1H3
InChIKeyXUTIWIOGBFEQIE-UHFFFAOYSA-N
MW414.36 g/mol
LogP3.94
Rot. Bonds5

About 2,6-dichloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]benzenesulfonamide

2,6-dichloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]benzenesulfonamide (PubChem CID 17486851) has the molecular formula C18H21Cl2N3O2S and a molecular weight of 414.36 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]benzenesulfonamide
PubChem CID17486851
Molecular FormulaC18H21Cl2N3O2S
Molecular Weight414.36 g/mol
Exact Mass413.07
IUPAC Name2,6-dichloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]benzenesulfonamide
SMILESCCN1CCN(c2ccccc2NS(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C18H21Cl2N3O2S/c1-2-22-10-12-23(13-11-22)17-9-4-3-8-16(17)21-26(24,25)18-14(19)6-5-7-15(18)20/h3-9,21H,2,10-13H2,1H3
InChIKeyXUTIWIOGBFEQIE-UHFFFAOYSA-N
XLogP3.94
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 39629010
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9030562
3-(4-chlorophenyl)sulfonyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]propanamide
CID 55361022
2-(benzenesulfonyl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 3889301
2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-(2-piperidin-1-ylphenyl)benzamide
CID 24979952
2,6-dichloro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide
CID 53352077
3-[[2-(4-ethylpiperazin-1-yl)anilino]methyl]benzoic acid
CID 122029617
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(methylamino)acetamide
CID 119901038
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(2-methylphenyl)acetamide
CID 17482833
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 17458980
N-[2-chloro-3-(2-chlorophenyl)-5-(4-ethylpiperazin-1-yl)phenyl]propane-1-sulfonamide
CID 22359436
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-iodobenzamide
CID 18190160

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2,6-dichloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]benzenesulfonamide (CID 17486851) is 2,6-dichloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,6-dichloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]benzenesulfonamide is CCN1CCN(c2ccccc2NS(=O)(=O)c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 2,6-dichloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]benzenesulfonamide?
The InChIKey is XUTIWIOGBFEQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N3O2S/c1-2-22-10-12-23(13-11-22)17-9-4-3-8-16(17)21-26(24,25)18-14(19)6-5-7-15(18)20/h3-9,21H,2,10-13H2,1H3.
What are the key properties of 2,6-dichloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]benzenesulfonamide?
2,6-dichloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]benzenesulfonamide has a molecular weight of 414.36 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 17486851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).