1-(4-fluoro-2-methoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine

C18H21FN2O4S — CID 1085530

IUPAC1-(4-fluoro-2-methoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(S(=O)(=O)c2ccc(F)cc2OC)CC1
InChIInChI=1S/C18H21FN2O4S/c1-24-16-6-4-3-5-15(16)20-9-11-21(12-10-20)26(22,23)18-8-7-14(19)13-17(18)25-2/h3-8,13H,9-12H2,1-2H3
InChIKeyMUAQGITUMIMWHQ-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.35
Rot. Bonds5

About 1-(4-fluoro-2-methoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine

1-(4-fluoro-2-methoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine (PubChem CID 1085530) has the molecular formula C18H21FN2O4S and a molecular weight of 380.44 g/mol. Its IUPAC name is 1-(4-fluoro-2-methoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(4-fluoro-2-methoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
PubChem CID1085530
Molecular FormulaC18H21FN2O4S
Molecular Weight380.44 g/mol
Exact Mass380.12
IUPAC Name1-(4-fluoro-2-methoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(S(=O)(=O)c2ccc(F)cc2OC)CC1
InChIInChI=1S/C18H21FN2O4S/c1-24-16-6-4-3-5-15(16)20-9-11-21(12-10-20)26(22,23)18-8-7-14(19)13-17(18)25-2/h3-8,13H,9-12H2,1-2H3
InChIKeyMUAQGITUMIMWHQ-UHFFFAOYSA-N
XLogP2.35
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxy-4-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1143543
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 91669754
1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 113077346
1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 23932557
1-(2,4-difluorophenyl)-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine
CID 113079942
1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-phenylpiperazine
CID 1085531
4-methoxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid
CID 2456144
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1201987
1-[(2,4-difluorophenyl)methylsulfonyl]-4-(2-methoxyphenyl)piperazine
CID 71905539
1-(3,5-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 2741701
1-(2,6-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 4089180
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(4-fluoro-2-methoxyphenyl)piperazine
CID 86959908

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-(4-fluoro-2-methoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine (CID 1085530) is 1-(4-fluoro-2-methoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-(4-fluoro-2-methoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-(4-fluoro-2-methoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(S(=O)(=O)c2ccc(F)cc2OC)CC1.
What is the InChIKey of 1-(4-fluoro-2-methoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine?
The InChIKey is MUAQGITUMIMWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4S/c1-24-16-6-4-3-5-15(16)20-9-11-21(12-10-20)26(22,23)18-8-7-14(19)13-17(18)25-2/h3-8,13H,9-12H2,1-2H3.
What are the key properties of 1-(4-fluoro-2-methoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine?
1-(4-fluoro-2-methoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine has a molecular weight of 380.44 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 1085530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).