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

C19H23ClN2O3S — CID 113080661

IUPAC1-(4-chloro-2-methoxy-5-methylphenyl)-4-(2-methylphenyl)sulfonylpiperazine
SMILESCOc1cc(Cl)c(C)cc1N1CCN(S(=O)(=O)c2ccccc2C)CC1
InChIInChI=1S/C19H23ClN2O3S/c1-14-6-4-5-7-19(14)26(23,24)22-10-8-21(9-11-22)17-12-15(2)16(20)13-18(17)25-3/h4-7,12-13H,8-11H2,1-3H3
InChIKeyUTEAHTBTZYFOTD-UHFFFAOYSA-N
MW394.92 g/mol
LogP3.48
Rot. Bonds4

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

1-(4-chloro-2-methoxy-5-methylphenyl)-4-(2-methylphenyl)sulfonylpiperazine (PubChem CID 113080661) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxy-5-methylphenyl)-4-(2-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(4-chloro-2-methoxy-5-methylphenyl)-4-(2-methylphenyl)sulfonylpiperazine
PubChem CID113080661
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name1-(4-chloro-2-methoxy-5-methylphenyl)-4-(2-methylphenyl)sulfonylpiperazine
SMILESCOc1cc(Cl)c(C)cc1N1CCN(S(=O)(=O)c2ccccc2C)CC1
InChIInChI=1S/C19H23ClN2O3S/c1-14-6-4-5-7-19(14)26(23,24)22-10-8-21(9-11-22)17-12-15(2)16(20)13-18(17)25-3/h4-7,12-13H,8-11H2,1-3H3
InChIKeyUTEAHTBTZYFOTD-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

Analyze 1-(4-chloro-2-methoxy-5-methylphenyl)-4-(2-methylphenyl)sulfonylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(benzenesulfonyl)-4-(4-chloro-2-methoxy-5-methylphenyl)piperazine
CID 113080654
1-(2,4-dimethoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113077949
1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 23932557
1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine
CID 2209348
1-(2-methylphenyl)sulfonylaziridine
CID 22214975
1-(4-chloro-2-methoxy-5-methylphenyl)piperidin-4-one
CID 24692834
methyl 2-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]benzoate
CID 113078432
1-(3-methoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113077373
1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 113077346
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 91669754
1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-methylphenyl)piperazine
CID 113075257
1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-(3-chloro-4-methylphenyl)piperazine
CID 16644819

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxy-5-methylphenyl)-4-(2-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(4-chloro-2-methoxy-5-methylphenyl)-4-(2-methylphenyl)sulfonylpiperazine (CID 113080661) is 1-(4-chloro-2-methoxy-5-methylphenyl)-4-(2-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(4-chloro-2-methoxy-5-methylphenyl)-4-(2-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(4-chloro-2-methoxy-5-methylphenyl)-4-(2-methylphenyl)sulfonylpiperazine is COc1cc(Cl)c(C)cc1N1CCN(S(=O)(=O)c2ccccc2C)CC1.
What is the InChIKey of 1-(4-chloro-2-methoxy-5-methylphenyl)-4-(2-methylphenyl)sulfonylpiperazine?
The InChIKey is UTEAHTBTZYFOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-14-6-4-5-7-19(14)26(23,24)22-10-8-21(9-11-22)17-12-15(2)16(20)13-18(17)25-3/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of 1-(4-chloro-2-methoxy-5-methylphenyl)-4-(2-methylphenyl)sulfonylpiperazine?
1-(4-chloro-2-methoxy-5-methylphenyl)-4-(2-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-methoxy-5-methylphenyl)-4-(2-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 113080661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).