1-(4-chloro-2-methylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine

C19H23ClN2O3S — CID 113076822

IUPAC1-(4-chloro-2-methylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCN(c2ccc(Cl)cc2C)CC1
InChIInChI=1S/C19H23ClN2O3S/c1-14-4-7-18(25-3)19(12-14)26(23,24)22-10-8-21(9-11-22)17-6-5-16(20)13-15(17)2/h4-7,12-13H,8-11H2,1-3H3
InChIKeyUQKMOCVSEURJKD-UHFFFAOYSA-N
MW394.92 g/mol
LogP3.48
Rot. Bonds4

About 1-(4-chloro-2-methylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine

1-(4-chloro-2-methylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine (PubChem CID 113076822) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine
PubChem CID113076822
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name1-(4-chloro-2-methylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCN(c2ccc(Cl)cc2C)CC1
InChIInChI=1S/C19H23ClN2O3S/c1-14-4-7-18(25-3)19(12-14)26(23,24)22-10-8-21(9-11-22)17-6-5-16(20)13-15(17)2/h4-7,12-13H,8-11H2,1-3H3
InChIKeyUQKMOCVSEURJKD-UHFFFAOYSA-N
XLogP3.48
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110
1-(2,4-dichlorophenyl)-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 113080251
1-(2,3-dimethylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine
CID 1260959
1-(5-chloro-2-methoxyphenyl)-4-(2,5-dimethoxyphenyl)sulfonylpiperazine
CID 3496187
1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperazine
CID 746471
1-(2,5-dimethylphenyl)-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine
CID 113075483
1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenylpiperazine
CID 775526
2-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]benzonitrile
CID 113080892
1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
CID 757936
1-(4-chloro-2-methylphenyl)-4-methylsulfonylpiperazine
CID 110357995
3-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 121053052
3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 121061024

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(4-chloro-2-methylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine (CID 113076822) is 1-(4-chloro-2-methylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(4-chloro-2-methylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(4-chloro-2-methylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine is COc1ccc(C)cc1S(=O)(=O)N1CCN(c2ccc(Cl)cc2C)CC1.
What is the InChIKey of 1-(4-chloro-2-methylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine?
The InChIKey is UQKMOCVSEURJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-14-4-7-18(25-3)19(12-14)26(23,24)22-10-8-21(9-11-22)17-6-5-16(20)13-15(17)2/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of 1-(4-chloro-2-methylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine?
1-(4-chloro-2-methylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine has a molecular weight of 394.92 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 113076822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).