1-(2-methoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine

C18H22N2O4S — CID 1087315

IUPAC1-(2-methoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)cc1
InChIInChI=1S/C18H22N2O4S/c1-23-15-7-9-16(10-8-15)25(21,22)20-13-11-19(12-14-20)17-5-3-4-6-18(17)24-2/h3-10H,11-14H2,1-2H3
InChIKeySNRPCELEJVOXCY-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.21
Rot. Bonds5

About 1-(2-methoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine

1-(2-methoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine (PubChem CID 1087315) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine
PubChem CID1087315
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name1-(2-methoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)cc1
InChIInChI=1S/C18H22N2O4S/c1-23-15-7-9-16(10-8-15)25(21,22)20-13-11-19(12-14-20)17-5-3-4-6-18(17)24-2/h3-10H,11-14H2,1-2H3
InChIKeySNRPCELEJVOXCY-UHFFFAOYSA-N
XLogP2.21
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-(Diethylamino)benzyl)-4-methoxy-N-(p-tolyl)benzenesulfonamide
CID 71584280
5-Amino-N-(4-methoxy-phenyl)-2-morpholin-4-yl-benzenesulfonamide
CID 2963517
SB 258585
CID 3248571
1-((4-Chlorophenyl)sulfonyl)-4-(2-methoxyphenyl)piperazine
CID 1068085
5-(Morpholine-4-sulfonyl)-2-phenoxyaniline
CID 3809457
5-amino-2-(diethylamino)-N-(2-methoxyphenyl)benzene-1-sulfonamide
CID 3851493
4-Bromo-N-[4-methoxy-3-(4-methyl-piperazin-1-yl)-phenyl]-benzenesulfonamide
CID 6918647
1-(2-Methoxyphenyl)-4-pentylpiperazine
CID 10422832
3-iodo-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 10648664
N-(5-iodo-2-methylphenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 17940101
N-(3,5-dichlorophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 17940212
N-(3-iodophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 17940215

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine (CID 1087315) is 1-(2-methoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine is COc1ccc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)cc1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine?
The InChIKey is SNRPCELEJVOXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-23-15-7-9-16(10-8-15)25(21,22)20-13-11-19(12-14-20)17-5-3-4-6-18(17)24-2/h3-10H,11-14H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine?
1-(2-methoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine has a molecular weight of 362.45 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine is sourced from PubChem (CID 1087315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).