1-[2-(2,5-dichlorophenoxy)-5-nitrophenyl]sulfonyl-3,5-dimethylpiperazine;1-[2-(2,5-dichlorophenoxy)-5-nitrophenyl]sulfonyl-4-ethylpiperazine;1-[2-(2,5-dichlorophenyl)sulfanyl-5-nitrophenyl]sulfonyl-3,5-dimethylpiperazine;1-[2-(2,5-dimethylphenoxy)-5-nitrophenyl]sulfonyl-4-ethylpiperazine;1-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonyl-4-ethylpiperazine

C94H107Cl6N15O23S7 — CID 157456673

IUPAC1-[2-(2,5-dichlorophenoxy)-5-nitrophenyl]sulfonyl-3,5-dimethylpiperazine;1-[2-(2,5-dichlorophenoxy)-5-nitrophenyl]sulfonyl-4-ethylpiperazine;1-[2-(2,5-dichlorophenyl)sulfanyl-5-nitrophenyl]sulfonyl-3,5-dimethylpiperazine;1-[2-(2,5-dimethylphenoxy)-5-nitrophenyl]sulfonyl-4-ethylpiperazine;1-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonyl-4-ethylpiperazine
SMILESCC1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Oc2cc(Cl)ccc2Cl)CC(C)N1.CC1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Sc2cc(Cl)ccc2Cl)CC(C)N1.CCN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Oc2cc(C)ccc2C)CC1.CCN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Oc2cc(Cl)ccc2Cl)CC1.CCN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Sc2cc(C)ccc2C)CC1
InChIInChI=1S/C20H25N3O5S.C20H25N3O4S2.2C18H19Cl2N3O5S.C18H19Cl2N3O4S2/c2*1-4-21-9-11-22(12-10-21)29(26,27)20-14-17(23(24)25)7-8-18(20)28-19-13-15(2)5-6-16(19)3;1-11-9-22(10-12(2)21-11)29(26,27)18-8-14(23(24)25)4-6-16(18)28-17-7-13(19)3-5-15(17)20;1-2-21-7-9-22(10-8-21)29(26,27)18-12-14(23(24)25)4-6-16(18)28-17-11-13(19)3-5-15(17)20;1-11-9-22(10-12(2)21-11)29(26,27)18-8-14(23(24)25)4-6-16(18)28-17-7-13(19)3-5-15(17)20/h2*5-8,13-14H,4,9-12H2,1-3H3;3-8,11-12,21H,9-10H2,1-2H3;3-6,11-12H,2,7-10H2,1H3;3-8,11-12,21H,9-10H2,1-2H3
InChIKeyBTKZSYYWHLBBSP-UHFFFAOYSA-N
MW2252.16 g/mol
LogP19.53
Rot. Bonds28

About 1-[2-(2,5-dichlorophenoxy)-5-nitrophenyl]sulfonyl-3,5-dimethylpiperazine;1-[2-(2,5-dichlorophenoxy)-5-nitrophenyl]sulfonyl-4-ethylpiperazine;1-[2-(2,5-dichlorophenyl)sulfanyl-5-nitrophenyl]sulfonyl-3,5-dimethylpiperazine;1-[2-(2,5-dimethylphenoxy)-5-nitrophenyl]sulfonyl-4-ethylpiperazine;1-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonyl-4-ethylpiperazine

1-[2-(2,5-dichlorophenoxy)-5-nitrophenyl]sulfonyl-3,5-dimethylpiperazine;1-[2-(2,5-dichlorophenoxy)-5-nitrophenyl]sulfonyl-4-ethylpiperazine;1-[2-(2,5-dichlorophenyl)sulfanyl-5-nitrophenyl]sulfonyl-3,5-dimethylpiperazine;1-[2-(2,5-dimethylphenoxy)-5-nitrophenyl]sulfonyl-4-ethylpiperazine;1-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonyl-4-ethylpiperazine (PubChem CID 157456673) has the molecular formula C94H107Cl6N15O23S7 and a molecular weight of 2252.16 g/mol. Its IUPAC name is 1-[2-(2,5-dichlorophenoxy)-5-nitrophenyl]sulfonyl-3,5-dimethylpiperazine;1-[2-(2,5-dichlorophenoxy)-5-nitrophenyl]sulfonyl-4-ethylpiperazine;1-[2-(2,5-dichlorophenyl)sulfanyl-5-nitrophenyl]sulfonyl-3,5-dimethylpiperazine;1-[2-(2,5-dimethylphenoxy)-5-nitrophenyl]sulfonyl-4-ethylpiperazine;1-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonyl-4-ethylpiperazine.

Molecular Properties

Compound Name1-[2-(2,5-dichlorophenoxy)-5-nitrophenyl]sulfonyl-3,5-dimethylpiperazine;1-[2-(2,5-dichlorophenoxy)-5-nitrophenyl]sulfonyl-4-ethylpiperazine;1-[2-(2,5-dichlorophenyl)sulfanyl-5-nitrophenyl]sulfonyl-3,5-dimethylpiperazine;1-[2-(2,5-dimethylphenoxy)-5-nitrophenyl]sulfonyl-4-ethylpiperazine;1-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonyl-4-ethylpiperazine
PubChem CID157456673
Molecular FormulaC94H107Cl6N15O23S7
Molecular Weight2252.16 g/mol
Exact Mass2247.38
IUPAC Name1-[2-(2,5-dichlorophenoxy)-5-nitrophenyl]sulfonyl-3,5-dimethylpiperazine;1-[2-(2,5-dichlorophenoxy)-5-nitrophenyl]sulfonyl-4-ethylpiperazine;1-[2-(2,5-dichlorophenyl)sulfanyl-5-nitrophenyl]sulfonyl-3,5-dimethylpiperazine;1-[2-(2,5-dimethylphenoxy)-5-nitrophenyl]sulfonyl-4-ethylpiperazine;1-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonyl-4-ethylpiperazine
SMILESCC1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Oc2cc(Cl)ccc2Cl)CC(C)N1.CC1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Sc2cc(Cl)ccc2Cl)CC(C)N1.CCN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Oc2cc(C)ccc2C)CC1.CCN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Oc2cc(Cl)ccc2Cl)CC1.CCN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Sc2cc(C)ccc2C)CC1
InChIInChI=1S/C20H25N3O5S.C20H25N3O4S2.2C18H19Cl2N3O5S.C18H19Cl2N3O4S2/c2*1-4-21-9-11-22(12-10-21)29(26,27)20-14-17(23(24)25)7-8-18(20)28-19-13-15(2)5-6-16(19)3;1-11-9-22(10-12(2)21-11)29(26,27)18-8-14(23(24)25)4-6-16(18)28-17-7-13(19)3-5-15(17)20;1-2-21-7-9-22(10-8-21)29(26,27)18-12-14(23(24)25)4-6-16(18)28-17-11-13(19)3-5-15(17)20;1-11-9-22(10-12(2)21-11)29(26,27)18-8-14(23(24)25)4-6-16(18)28-17-7-13(19)3-5-15(17)20/h2*5-8,13-14H,4,9-12H2,1-3H3;3-8,11-12,21H,9-10H2,1-2H3;3-6,11-12H,2,7-10H2,1H3;3-8,11-12,21H,9-10H2,1-2H3
InChIKeyBTKZSYYWHLBBSP-UHFFFAOYSA-N
XLogP19.53
TPSA464.07 Ų
H-Bond Donors2
H-Bond Acceptors30
Rotatable Bonds28
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002252.16
LogP ≤ 519.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[2-(2,5-dichlorophenoxy)-5-nitrophenyl]sulfonyl-3,5-dimethylpiperazine;1-[2-(2,5-dichlorophenoxy)-5-nitrophenyl]sulfonyl-4-ethylpiperazine;1-[2-(2,5-dichlorophenyl)sulfanyl-5-nitrophenyl]sulfonyl-3,5-dimethylpiperazine;1-[2-(2,5-dimethylphenoxy)-5-nitrophenyl]sulfonyl-4-ethylpiperazine;1-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonyl-4-ethylpiperazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dichlorophenoxy)-5-nitrophenyl]sulfonyl-3,5-dimethylpiperazine;1-[2-(2,5-dichlorophenoxy)-5-nitrophenyl]sulfonyl-4-ethylpiperazine;1-[2-(2,5-dichlorophenyl)sulfanyl-5-nitrophenyl]sulfonyl-3,5-dimethylpiperazine;1-[2-(2,5-dimethylphenoxy)-5-nitrophenyl]sulfonyl-4-ethylpiperazine;1-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonyl-4-ethylpiperazine?
The IUPAC name of 1-[2-(2,5-dichlorophenoxy)-5-nitrophenyl]sulfonyl-3,5-dimethylpiperazine;1-[2-(2,5-dichlorophenoxy)-5-nitrophenyl]sulfonyl-4-ethylpiperazine;1-[2-(2,5-dichlorophenyl)sulfanyl-5-nitrophenyl]sulfonyl-3,5-dimethylpiperazine;1-[2-(2,5-dimethylphenoxy)-5-nitrophenyl]sulfonyl-4-ethylpiperazine;1-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonyl-4-ethylpiperazine (CID 157456673) is 1-[2-(2,5-dichlorophenoxy)-5-nitrophenyl]sulfonyl-3,5-dimethylpiperazine;1-[2-(2,5-dichlorophenoxy)-5-nitrophenyl]sulfonyl-4-ethylpiperazine;1-[2-(2,5-dichlorophenyl)sulfanyl-5-nitrophenyl]sulfonyl-3,5-dimethylpiperazine;1-[2-(2,5-dimethylphenoxy)-5-nitrophenyl]sulfonyl-4-ethylpiperazine;1-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonyl-4-ethylpiperazine.
What is the SMILES notation for 1-[2-(2,5-dichlorophenoxy)-5-nitrophenyl]sulfonyl-3,5-dimethylpiperazine;1-[2-(2,5-dichlorophenoxy)-5-nitrophenyl]sulfonyl-4-ethylpiperazine;1-[2-(2,5-dichlorophenyl)sulfanyl-5-nitrophenyl]sulfonyl-3,5-dimethylpiperazine;1-[2-(2,5-dimethylphenoxy)-5-nitrophenyl]sulfonyl-4-ethylpiperazine;1-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonyl-4-ethylpiperazine?
The canonical SMILES for 1-[2-(2,5-dichlorophenoxy)-5-nitrophenyl]sulfonyl-3,5-dimethylpiperazine;1-[2-(2,5-dichlorophenoxy)-5-nitrophenyl]sulfonyl-4-ethylpiperazine;1-[2-(2,5-dichlorophenyl)sulfanyl-5-nitrophenyl]sulfonyl-3,5-dimethylpiperazine;1-[2-(2,5-dimethylphenoxy)-5-nitrophenyl]sulfonyl-4-ethylpiperazine;1-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonyl-4-ethylpiperazine is CC1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Oc2cc(Cl)ccc2Cl)CC(C)N1.CC1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Sc2cc(Cl)ccc2Cl)CC(C)N1.CCN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Oc2cc(C)ccc2C)CC1.CCN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Oc2cc(Cl)ccc2Cl)CC1.CCN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Sc2cc(C)ccc2C)CC1.
What is the InChIKey of 1-[2-(2,5-dichlorophenoxy)-5-nitrophenyl]sulfonyl-3,5-dimethylpiperazine;1-[2-(2,5-dichlorophenoxy)-5-nitrophenyl]sulfonyl-4-ethylpiperazine;1-[2-(2,5-dichlorophenyl)sulfanyl-5-nitrophenyl]sulfonyl-3,5-dimethylpiperazine;1-[2-(2,5-dimethylphenoxy)-5-nitrophenyl]sulfonyl-4-ethylpiperazine;1-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonyl-4-ethylpiperazine?
The InChIKey is BTKZSYYWHLBBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S.C20H25N3O4S2.2C18H19Cl2N3O5S.C18H19Cl2N3O4S2/c2*1-4-21-9-11-22(12-10-21)29(26,27)20-14-17(23(24)25)7-8-18(20)28-19-13-15(2)5-6-16(19)3;1-11-9-22(10-12(2)21-11)29(26,27)18-8-14(23(24)25)4-6-16(18)28-17-7-13(19)3-5-15(17)20;1-2-21-7-9-22(10-8-21)29(26,27)18-12-14(23(24)25)4-6-16(18)28-17-11-13(19)3-5-15(17)20;1-11-9-22(10-12(2)21-11)29(26,27)18-8-14(23(24)25)4-6-16(18)28-17-7-13(19)3-5-15(17)20/h2*5-8,13-14H,4,9-12H2,1-3H3;3-8,11-12,21H,9-10H2,1-2H3;3-6,11-12H,2,7-10H2,1H3;3-8,11-12,21H,9-10H2,1-2H3.
What are the key properties of 1-[2-(2,5-dichlorophenoxy)-5-nitrophenyl]sulfonyl-3,5-dimethylpiperazine;1-[2-(2,5-dichlorophenoxy)-5-nitrophenyl]sulfonyl-4-ethylpiperazine;1-[2-(2,5-dichlorophenyl)sulfanyl-5-nitrophenyl]sulfonyl-3,5-dimethylpiperazine;1-[2-(2,5-dimethylphenoxy)-5-nitrophenyl]sulfonyl-4-ethylpiperazine;1-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonyl-4-ethylpiperazine?
1-[2-(2,5-dichlorophenoxy)-5-nitrophenyl]sulfonyl-3,5-dimethylpiperazine;1-[2-(2,5-dichlorophenoxy)-5-nitrophenyl]sulfonyl-4-ethylpiperazine;1-[2-(2,5-dichlorophenyl)sulfanyl-5-nitrophenyl]sulfonyl-3,5-dimethylpiperazine;1-[2-(2,5-dimethylphenoxy)-5-nitrophenyl]sulfonyl-4-ethylpiperazine;1-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonyl-4-ethylpiperazine has a molecular weight of 2252.16 g/mol, XLogP of 19.53, 28 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dichlorophenoxy)-5-nitrophenyl]sulfonyl-3,5-dimethylpiperazine;1-[2-(2,5-dichlorophenoxy)-5-nitrophenyl]sulfonyl-4-ethylpiperazine;1-[2-(2,5-dichlorophenyl)sulfanyl-5-nitrophenyl]sulfonyl-3,5-dimethylpiperazine;1-[2-(2,5-dimethylphenoxy)-5-nitrophenyl]sulfonyl-4-ethylpiperazine;1-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonyl-4-ethylpiperazine is sourced from PubChem (CID 157456673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).