1-cyclohexyl-4-[2-(2,5-dimethylphenoxy)-5-nitrosophenyl]sulfonylpiperazine

C24H31N3O4S — CID 89020166

IUPAC1-cyclohexyl-4-[2-(2,5-dimethylphenoxy)-5-nitrosophenyl]sulfonylpiperazine
SMILESCc1ccc(C)c(Oc2ccc(N=O)cc2S(=O)(=O)N2CCN(C3CCCCC3)CC2)c1
InChIInChI=1S/C24H31N3O4S/c1-18-8-9-19(2)23(16-18)31-22-11-10-20(25-28)17-24(22)32(29,30)27-14-12-26(13-15-27)21-6-4-3-5-7-21/h8-11,16-17,21H,3-7,12-15H2,1-2H3
InChIKeyMQLNYVGAKQTGNI-UHFFFAOYSA-N
MW457.60 g/mol
LogP5.13
Rot. Bonds6

About 1-cyclohexyl-4-[2-(2,5-dimethylphenoxy)-5-nitrosophenyl]sulfonylpiperazine

1-cyclohexyl-4-[2-(2,5-dimethylphenoxy)-5-nitrosophenyl]sulfonylpiperazine (PubChem CID 89020166) has the molecular formula C24H31N3O4S and a molecular weight of 457.60 g/mol. Its IUPAC name is 1-cyclohexyl-4-[2-(2,5-dimethylphenoxy)-5-nitrosophenyl]sulfonylpiperazine.

Molecular Properties

Compound Name1-cyclohexyl-4-[2-(2,5-dimethylphenoxy)-5-nitrosophenyl]sulfonylpiperazine
PubChem CID89020166
Molecular FormulaC24H31N3O4S
Molecular Weight457.60 g/mol
Exact Mass457.20
IUPAC Name1-cyclohexyl-4-[2-(2,5-dimethylphenoxy)-5-nitrosophenyl]sulfonylpiperazine
SMILESCc1ccc(C)c(Oc2ccc(N=O)cc2S(=O)(=O)N2CCN(C3CCCCC3)CC2)c1
InChIInChI=1S/C24H31N3O4S/c1-18-8-9-19(2)23(16-18)31-22-11-10-20(25-28)17-24(22)32(29,30)27-14-12-26(13-15-27)21-6-4-3-5-7-21/h8-11,16-17,21H,3-7,12-15H2,1-2H3
InChIKeyMQLNYVGAKQTGNI-UHFFFAOYSA-N
XLogP5.13
TPSA79.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.60
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-cyclohexylpiperazin-1-yl)sulfonyl-4-(2,5-dimethylphenoxy)aniline
CID 89022729
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
1-cyclopentyl-4-[2-(3,5-dimethylphenoxy)-5-nitrophenyl]sulfonylpiperazine
CID 59260936
1-cycloheptyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 113074953
1-cycloheptyl-4-(3-methylphenyl)sulfonylpiperazine
CID 113074976
1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110
1-cyclopentyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 110708923
1-cyclohexyl-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine
CID 90146968
1-[2-(3,5-dichlorophenoxy)-5-methylphenyl]sulfonyl-4-piperidin-1-ylpiperidine;formaldehyde;methanol
CID 142218955
1-cyclopentyl-4-(4-methylnaphthalen-1-yl)sulfonylpiperazine
CID 11949879
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,5-dimethylbenzenesulfonamide
CID 16887727
cyclohexyl-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 110347019

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[2-(2,5-dimethylphenoxy)-5-nitrosophenyl]sulfonylpiperazine?
The IUPAC name of 1-cyclohexyl-4-[2-(2,5-dimethylphenoxy)-5-nitrosophenyl]sulfonylpiperazine (CID 89020166) is 1-cyclohexyl-4-[2-(2,5-dimethylphenoxy)-5-nitrosophenyl]sulfonylpiperazine.
What is the SMILES notation for 1-cyclohexyl-4-[2-(2,5-dimethylphenoxy)-5-nitrosophenyl]sulfonylpiperazine?
The canonical SMILES for 1-cyclohexyl-4-[2-(2,5-dimethylphenoxy)-5-nitrosophenyl]sulfonylpiperazine is Cc1ccc(C)c(Oc2ccc(N=O)cc2S(=O)(=O)N2CCN(C3CCCCC3)CC2)c1.
What is the InChIKey of 1-cyclohexyl-4-[2-(2,5-dimethylphenoxy)-5-nitrosophenyl]sulfonylpiperazine?
The InChIKey is MQLNYVGAKQTGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4S/c1-18-8-9-19(2)23(16-18)31-22-11-10-20(25-28)17-24(22)32(29,30)27-14-12-26(13-15-27)21-6-4-3-5-7-21/h8-11,16-17,21H,3-7,12-15H2,1-2H3.
What are the key properties of 1-cyclohexyl-4-[2-(2,5-dimethylphenoxy)-5-nitrosophenyl]sulfonylpiperazine?
1-cyclohexyl-4-[2-(2,5-dimethylphenoxy)-5-nitrosophenyl]sulfonylpiperazine has a molecular weight of 457.60 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[2-(2,5-dimethylphenoxy)-5-nitrosophenyl]sulfonylpiperazine is sourced from PubChem (CID 89020166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).