1-cyclohexyl-4-[2-(2,5-dimethylphenoxy)-5-nitrophenyl]sulfonylpiperazine;1-[2-(2,5-dichlorophenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazine;4-[2-(2,5-dichlorophenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazin-2-one;1-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazine;4-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazin-2-one

C92H99Cl4N15O23S9 — CID 161297438

IUPAC1-cyclohexyl-4-[2-(2,5-dimethylphenoxy)-5-nitrophenyl]sulfonylpiperazine;1-[2-(2,5-dichlorophenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazine;4-[2-(2,5-dichlorophenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazin-2-one;1-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazine;4-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazin-2-one
SMILESCc1ccc(C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCN(C3CCCCC3)CC2)c1.Cc1ccc(C)c(Sc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCNC(=O)C2)c1.Cc1ccc(C)c(Sc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCNCC2)c1.O=C1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Sc2cc(Cl)ccc2Cl)CCN1.O=[N+]([O-])c1ccc(Sc2cc(Cl)ccc2Cl)c(S(=O)(=O)N2CCNCC2)c1
InChIInChI=1S/C24H31N3O5S.C18H19N3O5S2.C18H21N3O4S2.C16H13Cl2N3O5S2.C16H15Cl2N3O4S2/c1-18-8-9-19(2)23(16-18)32-22-11-10-21(27(28)29)17-24(22)33(30,31)26-14-12-25(13-15-26)20-6-4-3-5-7-20;1-12-3-4-13(2)16(9-12)27-15-6-5-14(21(23)24)10-17(15)28(25,26)20-8-7-19-18(22)11-20;1-13-3-4-14(2)17(11-13)26-16-6-5-15(21(22)23)12-18(16)27(24,25)20-9-7-19-8-10-20;17-10-1-3-12(18)14(7-10)27-13-4-2-11(21(23)24)8-15(13)28(25,26)20-6-5-19-16(22)9-20;17-11-1-3-13(18)15(9-11)26-14-4-2-12(21(22)23)10-16(14)27(24,25)20-7-5-19-6-8-20/h8-11,16-17,20H,3-7,12-15H2,1-2H3;3-6,9-10H,7-8,11H2,1-2H3,(H,19,22);3-6,11-12,19H,7-10H2,1-2H3;1-4,7-8H,5-6,9H2,(H,19,22);1-4,9-10,19H,5-8H2
InChIKeyVHDVXZXFEJPNOQ-UHFFFAOYSA-N
MW2213.30 g/mol
LogP16.90
Rot. Bonds26

About 1-cyclohexyl-4-[2-(2,5-dimethylphenoxy)-5-nitrophenyl]sulfonylpiperazine;1-[2-(2,5-dichlorophenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazine;4-[2-(2,5-dichlorophenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazin-2-one;1-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazine;4-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazin-2-one

1-cyclohexyl-4-[2-(2,5-dimethylphenoxy)-5-nitrophenyl]sulfonylpiperazine;1-[2-(2,5-dichlorophenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazine;4-[2-(2,5-dichlorophenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazin-2-one;1-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazine;4-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazin-2-one (PubChem CID 161297438) has the molecular formula C92H99Cl4N15O23S9 and a molecular weight of 2213.30 g/mol. Its IUPAC name is 1-cyclohexyl-4-[2-(2,5-dimethylphenoxy)-5-nitrophenyl]sulfonylpiperazine;1-[2-(2,5-dichlorophenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazine;4-[2-(2,5-dichlorophenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazin-2-one;1-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazine;4-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-4-[2-(2,5-dimethylphenoxy)-5-nitrophenyl]sulfonylpiperazine;1-[2-(2,5-dichlorophenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazine;4-[2-(2,5-dichlorophenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazin-2-one;1-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazine;4-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazin-2-one
PubChem CID161297438
Molecular FormulaC92H99Cl4N15O23S9
Molecular Weight2213.30 g/mol
Exact Mass2209.33
IUPAC Name1-cyclohexyl-4-[2-(2,5-dimethylphenoxy)-5-nitrophenyl]sulfonylpiperazine;1-[2-(2,5-dichlorophenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazine;4-[2-(2,5-dichlorophenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazin-2-one;1-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazine;4-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazin-2-one
SMILESCc1ccc(C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCN(C3CCCCC3)CC2)c1.Cc1ccc(C)c(Sc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCNC(=O)C2)c1.Cc1ccc(C)c(Sc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCNCC2)c1.O=C1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Sc2cc(Cl)ccc2Cl)CCN1.O=[N+]([O-])c1ccc(Sc2cc(Cl)ccc2Cl)c(S(=O)(=O)N2CCNCC2)c1
InChIInChI=1S/C24H31N3O5S.C18H19N3O5S2.C18H21N3O4S2.C16H13Cl2N3O5S2.C16H15Cl2N3O4S2/c1-18-8-9-19(2)23(16-18)32-22-11-10-21(27(28)29)17-24(22)33(30,31)26-14-12-25(13-15-26)20-6-4-3-5-7-20;1-12-3-4-13(2)16(9-12)27-15-6-5-14(21(23)24)10-17(15)28(25,26)20-8-7-19-18(22)11-20;1-13-3-4-14(2)17(11-13)26-16-6-5-15(21(22)23)12-18(16)27(24,25)20-9-7-19-8-10-20;17-10-1-3-12(18)14(7-10)27-13-4-2-11(21(23)24)8-15(13)28(25,26)20-6-5-19-16(22)9-20;17-11-1-3-13(18)15(9-11)26-14-4-2-12(21(22)23)10-16(14)27(24,25)20-7-5-19-6-8-20/h8-11,16-17,20H,3-7,12-15H2,1-2H3;3-6,9-10H,7-8,11H2,1-2H3,(H,19,22);3-6,11-12,19H,7-10H2,1-2H3;1-4,7-8H,5-6,9H2,(H,19,22);1-4,9-10,19H,5-8H2
InChIKeyVHDVXZXFEJPNOQ-UHFFFAOYSA-N
XLogP16.90
TPSA497.33 Ų
H-Bond Donors4
H-Bond Acceptors30
Rotatable Bonds26
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002213.30
LogP ≤ 516.90
H-Bond Donors ≤ 54
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-cyclohexyl-4-[2-(2,5-dimethylphenoxy)-5-nitrophenyl]sulfonylpiperazine;1-[2-(2,5-dichlorophenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazine;4-[2-(2,5-dichlorophenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazin-2-one;1-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazine;4-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazin-2-one with MolForge

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Related Compounds

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
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
1-cyclopentyl-4-[2-(3,5-dimethylphenoxy)-5-nitrophenyl]sulfonylpiperazine
CID 59260936
1-cyclohexyl-4-[2-(2,5-dimethylphenoxy)-5-nitrosophenyl]sulfonylpiperazine
CID 89020166
1-[2-(5-methyl-2-nitrophenoxy)-5-nitrophenyl]sulfonylpiperazine
CID 59260842
1-cyclohexyl-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine
CID 90146968
3-(4-cyclohexylpiperazin-1-yl)sulfonyl-4-(2,5-dimethylphenoxy)aniline
CID 89022729
4-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrosophenyl]sulfonylpiperazin-2-one
CID 89020248
4-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonylmorpholine
CID 26451934
1-[2-(3,5-dimethylphenoxy)-5-nitrophenyl]sulfonylpiperazine
CID 59260765
4-(2-methyl-4-nitrophenyl)sulfonylpiperazin-2-one
CID 37496718
4-[2-(2,5-dichlorophenyl)sulfanyl-5-nitrophenyl]sulfonyl-N-(4-methylphenyl)piperazine-1-carboxamide
CID 59549103

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[2-(2,5-dimethylphenoxy)-5-nitrophenyl]sulfonylpiperazine;1-[2-(2,5-dichlorophenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazine;4-[2-(2,5-dichlorophenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazin-2-one;1-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazine;4-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazin-2-one?
The IUPAC name of 1-cyclohexyl-4-[2-(2,5-dimethylphenoxy)-5-nitrophenyl]sulfonylpiperazine;1-[2-(2,5-dichlorophenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazine;4-[2-(2,5-dichlorophenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazin-2-one;1-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazine;4-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazin-2-one (CID 161297438) is 1-cyclohexyl-4-[2-(2,5-dimethylphenoxy)-5-nitrophenyl]sulfonylpiperazine;1-[2-(2,5-dichlorophenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazine;4-[2-(2,5-dichlorophenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazin-2-one;1-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazine;4-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazin-2-one.
What is the SMILES notation for 1-cyclohexyl-4-[2-(2,5-dimethylphenoxy)-5-nitrophenyl]sulfonylpiperazine;1-[2-(2,5-dichlorophenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazine;4-[2-(2,5-dichlorophenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazin-2-one;1-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazine;4-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazin-2-one?
The canonical SMILES for 1-cyclohexyl-4-[2-(2,5-dimethylphenoxy)-5-nitrophenyl]sulfonylpiperazine;1-[2-(2,5-dichlorophenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazine;4-[2-(2,5-dichlorophenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazin-2-one;1-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazine;4-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazin-2-one is Cc1ccc(C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCN(C3CCCCC3)CC2)c1.Cc1ccc(C)c(Sc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCNC(=O)C2)c1.Cc1ccc(C)c(Sc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCNCC2)c1.O=C1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Sc2cc(Cl)ccc2Cl)CCN1.O=[N+]([O-])c1ccc(Sc2cc(Cl)ccc2Cl)c(S(=O)(=O)N2CCNCC2)c1.
What is the InChIKey of 1-cyclohexyl-4-[2-(2,5-dimethylphenoxy)-5-nitrophenyl]sulfonylpiperazine;1-[2-(2,5-dichlorophenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazine;4-[2-(2,5-dichlorophenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazin-2-one;1-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazine;4-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazin-2-one?
The InChIKey is VHDVXZXFEJPNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5S.C18H19N3O5S2.C18H21N3O4S2.C16H13Cl2N3O5S2.C16H15Cl2N3O4S2/c1-18-8-9-19(2)23(16-18)32-22-11-10-21(27(28)29)17-24(22)33(30,31)26-14-12-25(13-15-26)20-6-4-3-5-7-20;1-12-3-4-13(2)16(9-12)27-15-6-5-14(21(23)24)10-17(15)28(25,26)20-8-7-19-18(22)11-20;1-13-3-4-14(2)17(11-13)26-16-6-5-15(21(22)23)12-18(16)27(24,25)20-9-7-19-8-10-20;17-10-1-3-12(18)14(7-10)27-13-4-2-11(21(23)24)8-15(13)28(25,26)20-6-5-19-16(22)9-20;17-11-1-3-13(18)15(9-11)26-14-4-2-12(21(22)23)10-16(14)27(24,25)20-7-5-19-6-8-20/h8-11,16-17,20H,3-7,12-15H2,1-2H3;3-6,9-10H,7-8,11H2,1-2H3,(H,19,22);3-6,11-12,19H,7-10H2,1-2H3;1-4,7-8H,5-6,9H2,(H,19,22);1-4,9-10,19H,5-8H2.
What are the key properties of 1-cyclohexyl-4-[2-(2,5-dimethylphenoxy)-5-nitrophenyl]sulfonylpiperazine;1-[2-(2,5-dichlorophenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazine;4-[2-(2,5-dichlorophenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazin-2-one;1-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazine;4-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazin-2-one?
1-cyclohexyl-4-[2-(2,5-dimethylphenoxy)-5-nitrophenyl]sulfonylpiperazine;1-[2-(2,5-dichlorophenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazine;4-[2-(2,5-dichlorophenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazin-2-one;1-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazine;4-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazin-2-one has a molecular weight of 2213.30 g/mol, XLogP of 16.90, 26 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[2-(2,5-dimethylphenoxy)-5-nitrophenyl]sulfonylpiperazine;1-[2-(2,5-dichlorophenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazine;4-[2-(2,5-dichlorophenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazin-2-one;1-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazine;4-[2-(2,5-dimethylphenyl)sulfanyl-5-nitrophenyl]sulfonylpiperazin-2-one is sourced from PubChem (CID 161297438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).