1-[(4-chlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine

C19H23ClN2O4S — CID 17338184

IUPAC1-[(4-chlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1OC
InChIInChI=1S/C19H23ClN2O4S/c1-25-18-8-7-17(13-19(18)26-2)27(23,24)22-11-9-21(10-12-22)14-15-3-5-16(20)6-4-15/h3-8,13H,9-12,14H2,1-2H3
InChIKeyDVYCBSIRKMGWAI-UHFFFAOYSA-N
MW410.92 g/mol
LogP2.86
Rot. Bonds6

About 1-[(4-chlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine

1-[(4-chlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine (PubChem CID 17338184) has the molecular formula C19H23ClN2O4S and a molecular weight of 410.92 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine
PubChem CID17338184
Molecular FormulaC19H23ClN2O4S
Molecular Weight410.92 g/mol
Exact Mass410.11
IUPAC Name1-[(4-chlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1OC
InChIInChI=1S/C19H23ClN2O4S/c1-25-18-8-7-17(13-19(18)26-2)27(23,24)22-11-9-21(10-12-22)14-15-3-5-16(20)6-4-15/h3-8,13H,9-12,14H2,1-2H3
InChIKeyDVYCBSIRKMGWAI-UHFFFAOYSA-N
XLogP2.86
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.92
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-chlorophenyl)methyl]-4-(4-methoxy-3-methylphenyl)sulfonylpiperazine
CID 37498144
1-[(3,4-dichlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonyl-1,4-diazepane
CID 6734614
1-[(2-chlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine
CID 9435627
1-[(3,4-dimethoxyphenyl)methyl]-4-(4-propylphenyl)sulfonylpiperazine
CID 55374342
1-(4-chlorophenyl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine
CID 1122407
1-[(4-fluorophenyl)methyl]-4-(4-methoxy-3-methylphenyl)sulfonylpiperazine
CID 110398703
3-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]benzonitrile
CID 9435691
1-(3,4-dimethoxyphenyl)sulfonyl-4-[(2-methylphenyl)methyl]piperazine
CID 9300907
1-[(3,4-dimethoxyphenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonyl-6,6-difluoro-1,4-diazepane
CID 143573169
1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-methylbutyl)piperazine
CID 51260705
1-(1,3-benzodioxol-5-ylmethyl)-4-(4-fluoro-3-methoxyphenyl)sulfonylpiperazine
CID 6491446
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 5206655

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine (CID 17338184) is 1-[(4-chlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine is COc1ccc(S(=O)(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1OC.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine?
The InChIKey is DVYCBSIRKMGWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4S/c1-25-18-8-7-17(13-19(18)26-2)27(23,24)22-11-9-21(10-12-22)14-15-3-5-16(20)6-4-15/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine?
1-[(4-chlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine has a molecular weight of 410.92 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine is sourced from PubChem (CID 17338184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).