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

C96H113Cl4N15O22S8 — CID 159215095

IUPAC1-[2-(2,5-dichlorophenoxy)-5-nitrophenyl]sulfonyl-3,5-dimethylpiperazine;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-3,5-dimethylpiperazine;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-])ccc2Sc2cc(C)ccc2C)CC1.Cc1ccc(C)c(Sc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CC(C)NC(C)C2)c1
InChIInChI=1S/C20H25N3O5S.2C20H25N3O4S2.C18H19Cl2N3O5S.C18H19Cl2N3O4S2/c1-4-21-9-11-22(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;1-13-5-6-14(2)19(9-13)28-18-8-7-17(23(24)25)10-20(18)29(26,27)22-11-15(3)21-16(4)12-22;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;2*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/h5-8,13-14H,4,9-12H2,1-3H3;5-10,15-16,21H,11-12H2,1-4H3;5-8,13-14H,4,9-12H2,1-3H3;2*3-8,11-12,21H,9-10H2,1-2H3
InChIKeyKQYSIUJVEFWBIQ-UHFFFAOYSA-N
MW2227.39 g/mol
LogP19.24
Rot. Bonds27

About 1-[2-(2,5-dichlorophenoxy)-5-nitrophenyl]sulfonyl-3,5-dimethylpiperazine;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-3,5-dimethylpiperazine;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-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-3,5-dimethylpiperazine;1-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonyl-4-ethylpiperazine (PubChem CID 159215095) has the molecular formula C96H113Cl4N15O22S8 and a molecular weight of 2227.39 g/mol. Its IUPAC name is 1-[2-(2,5-dichlorophenoxy)-5-nitrophenyl]sulfonyl-3,5-dimethylpiperazine;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-3,5-dimethylpiperazine;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-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-3,5-dimethylpiperazine;1-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonyl-4-ethylpiperazine
PubChem CID159215095
Molecular FormulaC96H113Cl4N15O22S8
Molecular Weight2227.39 g/mol
Exact Mass2223.47
IUPAC Name1-[2-(2,5-dichlorophenoxy)-5-nitrophenyl]sulfonyl-3,5-dimethylpiperazine;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-3,5-dimethylpiperazine;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-])ccc2Sc2cc(C)ccc2C)CC1.Cc1ccc(C)c(Sc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CC(C)NC(C)C2)c1
InChIInChI=1S/C20H25N3O5S.2C20H25N3O4S2.C18H19Cl2N3O5S.C18H19Cl2N3O4S2/c1-4-21-9-11-22(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;1-13-5-6-14(2)19(9-13)28-18-8-7-17(23(24)25)10-20(18)29(26,27)22-11-15(3)21-16(4)12-22;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;2*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/h5-8,13-14H,4,9-12H2,1-3H3;5-10,15-16,21H,11-12H2,1-4H3;5-8,13-14H,4,9-12H2,1-3H3;2*3-8,11-12,21H,9-10H2,1-2H3
InChIKeyKQYSIUJVEFWBIQ-UHFFFAOYSA-N
XLogP19.24
TPSA463.63 Ų
H-Bond Donors3
H-Bond Acceptors30
Rotatable Bonds27
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002227.39
LogP ≤ 519.24
H-Bond Donors ≤ 53
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-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-3,5-dimethylpiperazine;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-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-3,5-dimethylpiperazine;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-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-3,5-dimethylpiperazine;1-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonyl-4-ethylpiperazine (CID 159215095) is 1-[2-(2,5-dichlorophenoxy)-5-nitrophenyl]sulfonyl-3,5-dimethylpiperazine;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-3,5-dimethylpiperazine;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-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-3,5-dimethylpiperazine;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-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-3,5-dimethylpiperazine;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-])ccc2Sc2cc(C)ccc2C)CC1.Cc1ccc(C)c(Sc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CC(C)NC(C)C2)c1.
What is the InChIKey of 1-[2-(2,5-dichlorophenoxy)-5-nitrophenyl]sulfonyl-3,5-dimethylpiperazine;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-3,5-dimethylpiperazine;1-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonyl-4-ethylpiperazine?
The InChIKey is KQYSIUJVEFWBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S.2C20H25N3O4S2.C18H19Cl2N3O5S.C18H19Cl2N3O4S2/c1-4-21-9-11-22(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;1-13-5-6-14(2)19(9-13)28-18-8-7-17(23(24)25)10-20(18)29(26,27)22-11-15(3)21-16(4)12-22;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;2*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/h5-8,13-14H,4,9-12H2,1-3H3;5-10,15-16,21H,11-12H2,1-4H3;5-8,13-14H,4,9-12H2,1-3H3;2*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-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-3,5-dimethylpiperazine;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-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-3,5-dimethylpiperazine;1-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonyl-4-ethylpiperazine has a molecular weight of 2227.39 g/mol, XLogP of 19.24, 27 rotatable bonds, 3 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-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-3,5-dimethylpiperazine;1-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonyl-4-ethylpiperazine is sourced from PubChem (CID 159215095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).