1-(3-chloro-2-methylphenyl)-4-(4-methoxy-3-methylphenyl)sulfonylpiperazine

C19H23ClN2O3S — CID 2211092

IUPAC1-(3-chloro-2-methylphenyl)-4-(4-methoxy-3-methylphenyl)sulfonylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3C)CC2)cc1C
InChIInChI=1S/C19H23ClN2O3S/c1-14-13-16(7-8-19(14)25-3)26(23,24)22-11-9-21(10-12-22)18-6-4-5-17(20)15(18)2/h4-8,13H,9-12H2,1-3H3
InChIKeyZXTXJBLPTHKCLN-UHFFFAOYSA-N
MW394.92 g/mol
LogP3.48
Rot. Bonds4

About 1-(3-chloro-2-methylphenyl)-4-(4-methoxy-3-methylphenyl)sulfonylpiperazine

1-(3-chloro-2-methylphenyl)-4-(4-methoxy-3-methylphenyl)sulfonylpiperazine (PubChem CID 2211092) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-4-(4-methoxy-3-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-4-(4-methoxy-3-methylphenyl)sulfonylpiperazine
PubChem CID2211092
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name1-(3-chloro-2-methylphenyl)-4-(4-methoxy-3-methylphenyl)sulfonylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3C)CC2)cc1C
InChIInChI=1S/C19H23ClN2O3S/c1-14-13-16(7-8-19(14)25-3)26(23,24)22-11-9-21(10-12-22)18-6-4-5-17(20)15(18)2/h4-8,13H,9-12H2,1-3H3
InChIKeyZXTXJBLPTHKCLN-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-chloro-3-methoxyphenyl)sulfonyl-4-(2,3-dichlorophenyl)piperazine
CID 91670186
1-(3-chloro-2-methylphenyl)-4-(5-ethyl-2-methoxyphenyl)sulfonylpiperazine
CID 91669996
1-(3-chloro-2-methylphenyl)-4-(4-iodophenyl)sulfonylpiperazine
CID 91670020
1-(4-bromo-3-ethoxyphenyl)sulfonyl-4-(3-chloro-2-methylphenyl)piperazine
CID 91670040
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(2-ethylphenyl)piperazine
CID 113075861
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(5-chloro-2-methylphenyl)piperazine
CID 1255328
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1201987
1-(3-chloro-2-methylphenyl)-4-(4,5-dichloro-2-methylphenyl)sulfonylpiperazine
CID 91670016
1-(4-bromo-3-methylphenyl)sulfonyl-4-(2-chlorophenyl)piperazine
CID 26947991
1-[3-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]phenyl]ethanone
CID 113078159
1-tert-butyl-4-(4-methoxy-3-methylphenyl)sulfonylpiperazine
CID 113074863
4-(4-methoxy-3-methylphenyl)sulfonylmorpholine
CID 847008

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-4-(4-methoxy-3-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-4-(4-methoxy-3-methylphenyl)sulfonylpiperazine (CID 2211092) is 1-(3-chloro-2-methylphenyl)-4-(4-methoxy-3-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-4-(4-methoxy-3-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-4-(4-methoxy-3-methylphenyl)sulfonylpiperazine is COc1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3C)CC2)cc1C.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-4-(4-methoxy-3-methylphenyl)sulfonylpiperazine?
The InChIKey is ZXTXJBLPTHKCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-14-13-16(7-8-19(14)25-3)26(23,24)22-11-9-21(10-12-22)18-6-4-5-17(20)15(18)2/h4-8,13H,9-12H2,1-3H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)-4-(4-methoxy-3-methylphenyl)sulfonylpiperazine?
1-(3-chloro-2-methylphenyl)-4-(4-methoxy-3-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-(3-chloro-2-methylphenyl)-4-(4-methoxy-3-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 2211092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).