1-(2,6-dimethoxyphenyl)sulfonyl-2-(3-fluorophenyl)piperazine

C18H21FN2O4S — CID 120764422

IUPAC1-(2,6-dimethoxyphenyl)sulfonyl-2-(3-fluorophenyl)piperazine
SMILESCOc1cccc(OC)c1S(=O)(=O)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C18H21FN2O4S/c1-24-16-7-4-8-17(25-2)18(16)26(22,23)21-10-9-20-12-15(21)13-5-3-6-14(19)11-13/h3-8,11,15,20H,9-10,12H2,1-2H3
InChIKeyAMEWJKBAPKQEHX-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.18
Rot. Bonds5

About 1-(2,6-dimethoxyphenyl)sulfonyl-2-(3-fluorophenyl)piperazine

1-(2,6-dimethoxyphenyl)sulfonyl-2-(3-fluorophenyl)piperazine (PubChem CID 120764422) has the molecular formula C18H21FN2O4S and a molecular weight of 380.44 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)sulfonyl-2-(3-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)sulfonyl-2-(3-fluorophenyl)piperazine
PubChem CID120764422
Molecular FormulaC18H21FN2O4S
Molecular Weight380.44 g/mol
Exact Mass380.12
IUPAC Name1-(2,6-dimethoxyphenyl)sulfonyl-2-(3-fluorophenyl)piperazine
SMILESCOc1cccc(OC)c1S(=O)(=O)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C18H21FN2O4S/c1-24-16-7-4-8-17(25-2)18(16)26(22,23)21-10-9-20-12-15(21)13-5-3-6-14(19)11-13/h3-8,11,15,20H,9-10,12H2,1-2H3
InChIKeyAMEWJKBAPKQEHX-UHFFFAOYSA-N
XLogP2.18
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chlorophenyl)-1-(2,6-dimethoxyphenyl)sulfonylpiperazine
CID 120776752
1-(3-fluoro-4-methoxyphenyl)sulfonyl-2-(3-fluorophenyl)piperazine
CID 120764715
4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-3-methoxybenzonitrile
CID 120876754
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(3-fluorophenyl)piperazine
CID 120764645
methyl 4-fluoro-2-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylbenzoate;hydrochloride
CID 120764590
methyl 3-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-4-methylthiophene-2-carboxylate
CID 120876756
1-cyclopropylsulfonyl-2-(3-fluorophenyl)piperazine
CID 120764492
2-(3-fluorophenyl)-1-(2-methoxyethylsulfonyl)piperazine;hydrochloride
CID 120764950
methyl 3-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-2-methylbenzoate;hydrochloride
CID 120764505
methyl 2-fluoro-6-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylbenzoate
CID 120764903
4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-N,N-dimethylaniline;hydrochloride
CID 120764419
1-(2,3-dimethyl-6-nitrophenyl)sulfonyl-2-(3-fluorophenyl)piperazine;hydrochloride
CID 120764483

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)sulfonyl-2-(3-fluorophenyl)piperazine?
The IUPAC name of 1-(2,6-dimethoxyphenyl)sulfonyl-2-(3-fluorophenyl)piperazine (CID 120764422) is 1-(2,6-dimethoxyphenyl)sulfonyl-2-(3-fluorophenyl)piperazine.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)sulfonyl-2-(3-fluorophenyl)piperazine?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)sulfonyl-2-(3-fluorophenyl)piperazine is COc1cccc(OC)c1S(=O)(=O)N1CCNCC1c1cccc(F)c1.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)sulfonyl-2-(3-fluorophenyl)piperazine?
The InChIKey is AMEWJKBAPKQEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4S/c1-24-16-7-4-8-17(25-2)18(16)26(22,23)21-10-9-20-12-15(21)13-5-3-6-14(19)11-13/h3-8,11,15,20H,9-10,12H2,1-2H3.
What are the key properties of 1-(2,6-dimethoxyphenyl)sulfonyl-2-(3-fluorophenyl)piperazine?
1-(2,6-dimethoxyphenyl)sulfonyl-2-(3-fluorophenyl)piperazine has a molecular weight of 380.44 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenyl)sulfonyl-2-(3-fluorophenyl)piperazine is sourced from PubChem (CID 120764422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).