1-(2-chloro-6-methylphenyl)sulfonyl-4-(2,4-dimethoxyphenyl)piperazine

C19H23ClN2O4S — CID 6737037

IUPAC1-(2-chloro-6-methylphenyl)sulfonyl-4-(2,4-dimethoxyphenyl)piperazine
SMILESCOc1ccc(N2CCN(S(=O)(=O)c3c(C)cccc3Cl)CC2)c(OC)c1
InChIInChI=1S/C19H23ClN2O4S/c1-14-5-4-6-16(20)19(14)27(23,24)22-11-9-21(10-12-22)17-8-7-15(25-2)13-18(17)26-3/h4-8,13H,9-12H2,1-3H3
InChIKeyIGUKUNOGJAFMTJ-UHFFFAOYSA-N
MW410.92 g/mol
LogP3.18
Rot. Bonds5

About 1-(2-chloro-6-methylphenyl)sulfonyl-4-(2,4-dimethoxyphenyl)piperazine

1-(2-chloro-6-methylphenyl)sulfonyl-4-(2,4-dimethoxyphenyl)piperazine (PubChem CID 6737037) has the molecular formula C19H23ClN2O4S and a molecular weight of 410.92 g/mol. Its IUPAC name is 1-(2-chloro-6-methylphenyl)sulfonyl-4-(2,4-dimethoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(2-chloro-6-methylphenyl)sulfonyl-4-(2,4-dimethoxyphenyl)piperazine
PubChem CID6737037
Molecular FormulaC19H23ClN2O4S
Molecular Weight410.92 g/mol
Exact Mass410.11
IUPAC Name1-(2-chloro-6-methylphenyl)sulfonyl-4-(2,4-dimethoxyphenyl)piperazine
SMILESCOc1ccc(N2CCN(S(=O)(=O)c3c(C)cccc3Cl)CC2)c(OC)c1
InChIInChI=1S/C19H23ClN2O4S/c1-14-5-4-6-16(20)19(14)27(23,24)22-11-9-21(10-12-22)17-8-7-15(25-2)13-18(17)26-3/h4-8,13H,9-12H2,1-3H3
InChIKeyIGUKUNOGJAFMTJ-UHFFFAOYSA-N
XLogP3.18
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.92
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dimethoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113077949
1-(2,6-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 4089180
1-(2,4-dimethoxyphenyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine
CID 5000474
1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 113077346
1-(4-chloro-2-methoxy-5-methylphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113080661
N-(2,6-dichlorophenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 3696119
1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-methylphenyl)piperazine
CID 113075257
N-(3-chloro-2-methylphenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 113113082
1-(benzenesulfonyl)-4-(4-chloro-2-methoxy-5-methylphenyl)piperazine
CID 113080654
1-(3-chloro-2-methylphenyl)-4-(4-methoxy-3-methylphenyl)sulfonylpiperazine
CID 2211092
1-(benzenesulfonyl)-4-(2,5-dimethoxyphenyl)piperazine
CID 113077853
1-(5-chloro-2-methoxyphenyl)-4-(2,5-dimethoxyphenyl)sulfonylpiperazine
CID 3496187

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methylphenyl)sulfonyl-4-(2,4-dimethoxyphenyl)piperazine?
The IUPAC name of 1-(2-chloro-6-methylphenyl)sulfonyl-4-(2,4-dimethoxyphenyl)piperazine (CID 6737037) is 1-(2-chloro-6-methylphenyl)sulfonyl-4-(2,4-dimethoxyphenyl)piperazine.
What is the SMILES notation for 1-(2-chloro-6-methylphenyl)sulfonyl-4-(2,4-dimethoxyphenyl)piperazine?
The canonical SMILES for 1-(2-chloro-6-methylphenyl)sulfonyl-4-(2,4-dimethoxyphenyl)piperazine is COc1ccc(N2CCN(S(=O)(=O)c3c(C)cccc3Cl)CC2)c(OC)c1.
What is the InChIKey of 1-(2-chloro-6-methylphenyl)sulfonyl-4-(2,4-dimethoxyphenyl)piperazine?
The InChIKey is IGUKUNOGJAFMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4S/c1-14-5-4-6-16(20)19(14)27(23,24)22-11-9-21(10-12-22)17-8-7-15(25-2)13-18(17)26-3/h4-8,13H,9-12H2,1-3H3.
What are the key properties of 1-(2-chloro-6-methylphenyl)sulfonyl-4-(2,4-dimethoxyphenyl)piperazine?
1-(2-chloro-6-methylphenyl)sulfonyl-4-(2,4-dimethoxyphenyl)piperazine has a molecular weight of 410.92 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-methylphenyl)sulfonyl-4-(2,4-dimethoxyphenyl)piperazine is sourced from PubChem (CID 6737037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).