1-(3,4-dimethylphenyl)-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine

C23H26N2O3S — CID 100671510

IUPAC1-(3,4-dimethylphenyl)-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ccc(C)c(C)c3)CC2)c2ccccc12
InChIInChI=1S/C23H26N2O3S/c1-17-8-9-19(16-18(17)2)24-12-14-25(15-13-24)29(26,27)23-11-10-22(28-3)20-6-4-5-7-21(20)23/h4-11,16H,12-15H2,1-3H3
InChIKeyKBXBDOIVTUSCCU-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.98
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine

1-(3,4-dimethylphenyl)-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine (PubChem CID 100671510) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine
PubChem CID100671510
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC Name1-(3,4-dimethylphenyl)-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ccc(C)c(C)c3)CC2)c2ccccc12
InChIInChI=1S/C23H26N2O3S/c1-17-8-9-19(16-18(17)2)24-12-14-25(15-13-24)29(26,27)23-11-10-22(28-3)20-6-4-5-7-21(20)23/h4-11,16H,12-15H2,1-3H3
InChIKeyKBXBDOIVTUSCCU-UHFFFAOYSA-N
XLogP3.98
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(2-chlorophenyl)-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine
CID 1296699
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(3,4-dimethylphenyl)piperazine
CID 113075565
1-(3-chlorophenyl)-4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazine
CID 34117775
1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-(3-chloro-4-methylphenyl)piperazine
CID 16644819
1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenylpiperazine
CID 775526
1-(4-ethoxynaphthalen-1-yl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
CID 91669820
1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3853607
1-(3-methoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113077373
1-(3-chlorophenyl)-4-(2,3-dichloro-4-methoxyphenyl)sulfonylpiperazine
CID 1210841
1-(4-methoxyphenyl)-4-(2-methoxyphenyl)sulfonylpiperazine
CID 51109656
1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-phenylpiperazine
CID 1085531
1-(3,4-dimethylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 2478081

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine?
The IUPAC name of 1-(3,4-dimethylphenyl)-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine (CID 100671510) is 1-(3,4-dimethylphenyl)-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine is COc1ccc(S(=O)(=O)N2CCN(c3ccc(C)c(C)c3)CC2)c2ccccc12.
What is the InChIKey of 1-(3,4-dimethylphenyl)-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine?
The InChIKey is KBXBDOIVTUSCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S/c1-17-8-9-19(16-18(17)2)24-12-14-25(15-13-24)29(26,27)23-11-10-22(28-3)20-6-4-5-7-21(20)23/h4-11,16H,12-15H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine?
1-(3,4-dimethylphenyl)-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine has a molecular weight of 410.54 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine is sourced from PubChem (CID 100671510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).