1-(2,5-dimethylphenyl)-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine

C21H28N2O3S — CID 113075483

IUPAC1-(2,5-dimethylphenyl)-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)N1CCN(c2cc(C)ccc2C)CC1
InChIInChI=1S/C21H28N2O3S/c1-15-6-7-16(2)19(12-15)22-8-10-23(11-9-22)27(24,25)21-14-18(4)17(3)13-20(21)26-5/h6-7,12-14H,8-11H2,1-5H3
InChIKeyBWZLFNNAWWNPGK-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.44
Rot. Bonds4

About 1-(2,5-dimethylphenyl)-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine

1-(2,5-dimethylphenyl)-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine (PubChem CID 113075483) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine
PubChem CID113075483
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC Name1-(2,5-dimethylphenyl)-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)N1CCN(c2cc(C)ccc2C)CC1
InChIInChI=1S/C21H28N2O3S/c1-15-6-7-16(2)19(12-15)22-8-10-23(11-9-22)27(24,25)21-14-18(4)17(3)13-20(21)26-5/h6-7,12-14H,8-11H2,1-5H3
InChIKeyBWZLFNNAWWNPGK-UHFFFAOYSA-N
XLogP3.44
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-difluorophenyl)-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine
CID 113079942
1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 91669754
1-(2-methoxy-4-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1143543
1-(2,3-dimethylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine
CID 1260959
1-(2,5-dimethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 785540
1-(4-chloro-2-methylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine
CID 113076822
1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine
CID 778428
1-(4-tert-butylphenyl)sulfonyl-4-(2,5-dimethylphenyl)piperazine
CID 2192290
1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenylpiperazine
CID 775526
1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperazine
CID 746471
1-(2,5-dimethylphenyl)-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine
CID 5034124

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(2,5-dimethylphenyl)-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine (CID 113075483) is 1-(2,5-dimethylphenyl)-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine is COc1cc(C)c(C)cc1S(=O)(=O)N1CCN(c2cc(C)ccc2C)CC1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine?
The InChIKey is BWZLFNNAWWNPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-15-6-7-16(2)19(12-15)22-8-10-23(11-9-22)27(24,25)21-14-18(4)17(3)13-20(21)26-5/h6-7,12-14H,8-11H2,1-5H3.
What are the key properties of 1-(2,5-dimethylphenyl)-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine?
1-(2,5-dimethylphenyl)-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine has a molecular weight of 388.53 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine is sourced from PubChem (CID 113075483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).