4-(3-chlorophenoxy)-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride

C18H24Cl3N3O3S — CID 119966272

IUPAC4-(3-chlorophenoxy)-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
SMILESCl.Cl.O=S(=O)(NCCN1CCNCC1)c1ccc(Oc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H22ClN3O3S.2ClH/c19-15-2-1-3-17(14-15)25-16-4-6-18(7-5-16)26(23,24)21-10-13-22-11-8-20-9-12-22;;/h1-7,14,20-21H,8-13H2;2*1H
InChIKeyOKBCZEJBTGVESF-UHFFFAOYSA-N
MW468.83 g/mol
LogP3.16
Rot. Bonds7

About 4-(3-chlorophenoxy)-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride

4-(3-chlorophenoxy)-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride (PubChem CID 119966272) has the molecular formula C18H24Cl3N3O3S and a molecular weight of 468.83 g/mol. Its IUPAC name is 4-(3-chlorophenoxy)-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride.

Molecular Properties

Compound Name4-(3-chlorophenoxy)-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
PubChem CID119966272
Molecular FormulaC18H24Cl3N3O3S
Molecular Weight468.83 g/mol
Exact Mass467.06
IUPAC Name4-(3-chlorophenoxy)-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
SMILESCl.Cl.O=S(=O)(NCCN1CCNCC1)c1ccc(Oc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H22ClN3O3S.2ClH/c19-15-2-1-3-17(14-15)25-16-4-6-18(7-5-16)26(23,24)21-10-13-22-11-8-20-9-12-22;;/h1-7,14,20-21H,8-13H2;2*1H
InChIKeyOKBCZEJBTGVESF-UHFFFAOYSA-N
XLogP3.16
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.83
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dichloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 43599808
4-chloro-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 43443247
3-chloro-4-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 119966394
3-bromo-4-chloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 106606518
N-(2-morpholin-4-ylethyl)-4-[4-(2-morpholin-4-ylethylsulfamoyl)phenoxy]benzenesulfonamide
CID 2908203
4-nitro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 119966206
3-bromo-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 43599810
3-phenyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 120999788
N-(2-piperazin-1-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 119966218
3-bromo-2-chloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 120999791
4-(2-methoxyethyl)-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 119966559
2-(3-chlorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 62048123

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenoxy)-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride?
The IUPAC name of 4-(3-chlorophenoxy)-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride (CID 119966272) is 4-(3-chlorophenoxy)-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride.
What is the SMILES notation for 4-(3-chlorophenoxy)-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride?
The canonical SMILES for 4-(3-chlorophenoxy)-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride is Cl.Cl.O=S(=O)(NCCN1CCNCC1)c1ccc(Oc2cccc(Cl)c2)cc1.
What is the InChIKey of 4-(3-chlorophenoxy)-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride?
The InChIKey is OKBCZEJBTGVESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3S.2ClH/c19-15-2-1-3-17(14-15)25-16-4-6-18(7-5-16)26(23,24)21-10-13-22-11-8-20-9-12-22;;/h1-7,14,20-21H,8-13H2;2*1H.
What are the key properties of 4-(3-chlorophenoxy)-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride?
4-(3-chlorophenoxy)-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride has a molecular weight of 468.83 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenoxy)-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride is sourced from PubChem (CID 119966272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).