1-(3-chlorophenyl)-4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazine

C19H23ClN2O3S — CID 34117775

IUPAC1-(3-chlorophenyl)-4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)c(C)c1C
InChIInChI=1S/C19H23ClN2O3S/c1-14-15(2)19(8-7-18(14)25-3)26(23,24)22-11-9-21(10-12-22)17-6-4-5-16(20)13-17/h4-8,13H,9-12H2,1-3H3
InChIKeyAAHUZXAASNRQEC-UHFFFAOYSA-N
MW394.92 g/mol
LogP3.48
Rot. Bonds4

About 1-(3-chlorophenyl)-4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazine

1-(3-chlorophenyl)-4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazine (PubChem CID 34117775) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazine
PubChem CID34117775
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name1-(3-chlorophenyl)-4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)c(C)c1C
InChIInChI=1S/C19H23ClN2O3S/c1-14-15(2)19(8-7-18(14)25-3)26(23,24)22-11-9-21(10-12-22)17-6-4-5-16(20)13-17/h4-8,13H,9-12H2,1-3H3
InChIKeyAAHUZXAASNRQEC-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-(3-chlorophenyl)-4-(2,3-dichloro-4-methoxyphenyl)sulfonylpiperazine
CID 1210841
1-(3-chloro-4-methoxyphenyl)-4-(3-chlorophenyl)piperazine
CID 110452715
1-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2-methoxyphenyl]pyrrolidine-2,5-dione
CID 100621888
1-(3-chlorophenyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazine
CID 17372732
1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3853607
1-(4-methoxy-2,3-dimethylphenyl)sulfonylazepane
CID 6472720
1-(3-chlorophenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine
CID 997461
1-(3,4-dimethylphenyl)-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine
CID 100671510
1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenylpiperazine
CID 775526
1-(2-chloro-4-methylphenyl)sulfonyl-4-(3-methylphenyl)piperazine
CID 32680669
1-(3-chloro-2-methylphenyl)sulfonyl-4-phenylpiperazine
CID 11951648
2-[4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazin-1-yl]-4-methyl-6-piperidin-1-ylpyrimidine
CID 50945939

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazine (CID 34117775) is 1-(3-chlorophenyl)-4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazine is COc1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)c(C)c1C.
What is the InChIKey of 1-(3-chlorophenyl)-4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazine?
The InChIKey is AAHUZXAASNRQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-14-15(2)19(8-7-18(14)25-3)26(23,24)22-11-9-21(10-12-22)17-6-4-5-16(20)13-17/h4-8,13H,9-12H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazine?
1-(3-chlorophenyl)-4-(4-methoxy-2,3-dimethylphenyl)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-chlorophenyl)-4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazine is sourced from PubChem (CID 34117775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).