1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonyl-3-methylpiperazine;hydrochloride

C14H22ClFN2O4S — CID 120710454

IUPAC1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonyl-3-methylpiperazine;hydrochloride
SMILESCOCCOc1ccc(F)cc1S(=O)(=O)N1CCNC(C)C1.Cl
InChIInChI=1S/C14H21FN2O4S.ClH/c1-11-10-17(6-5-16-11)22(18,19)14-9-12(15)3-4-13(14)21-8-7-20-2;/h3-4,9,11,16H,5-8,10H2,1-2H3;1H
InChIKeyLSVTXLZOFSMXKB-UHFFFAOYSA-N
MW368.86 g/mol
LogP1.26
Rot. Bonds6

About 1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonyl-3-methylpiperazine;hydrochloride

1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonyl-3-methylpiperazine;hydrochloride (PubChem CID 120710454) has the molecular formula C14H22ClFN2O4S and a molecular weight of 368.86 g/mol. Its IUPAC name is 1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonyl-3-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonyl-3-methylpiperazine;hydrochloride
PubChem CID120710454
Molecular FormulaC14H22ClFN2O4S
Molecular Weight368.86 g/mol
Exact Mass368.10
IUPAC Name1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonyl-3-methylpiperazine;hydrochloride
SMILESCOCCOc1ccc(F)cc1S(=O)(=O)N1CCNC(C)C1.Cl
InChIInChI=1S/C14H21FN2O4S.ClH/c1-11-10-17(6-5-16-11)22(18,19)14-9-12(15)3-4-13(14)21-8-7-20-2;/h3-4,9,11,16H,5-8,10H2,1-2H3;1H
InChIKeyLSVTXLZOFSMXKB-UHFFFAOYSA-N
XLogP1.26
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-difluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119981939
1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonyl-2-methylpiperazine
CID 120708128
1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120779271
N-(cyclopropylmethyl)-1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonylpiperidin-4-amine
CID 120711444
1-(5-bromo-2-ethoxyphenyl)sulfonyl-3-methylpiperazine
CID 65450331
(3R)-1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperazine
CID 104975070
1-(5-bromo-2-methoxyphenyl)sulfonyl-3-methylpiperazine
CID 65449942
1-(3-fluoro-4-methoxy-2-methylphenyl)sulfonyl-3-methylpiperazine
CID 120710416
[1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonylpyrrolidin-2-yl]methanamine
CID 120711687
1-(3-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119981991
1-(2-methoxy-5-nitrophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119981861
1-(2-methoxy-5-nitrophenyl)sulfonyl-3-methylpiperazine
CID 65449938

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonyl-3-methylpiperazine;hydrochloride?
The IUPAC name of 1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonyl-3-methylpiperazine;hydrochloride (CID 120710454) is 1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonyl-3-methylpiperazine;hydrochloride.
What is the SMILES notation for 1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonyl-3-methylpiperazine;hydrochloride?
The canonical SMILES for 1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonyl-3-methylpiperazine;hydrochloride is COCCOc1ccc(F)cc1S(=O)(=O)N1CCNC(C)C1.Cl.
What is the InChIKey of 1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonyl-3-methylpiperazine;hydrochloride?
The InChIKey is LSVTXLZOFSMXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O4S.ClH/c1-11-10-17(6-5-16-11)22(18,19)14-9-12(15)3-4-13(14)21-8-7-20-2;/h3-4,9,11,16H,5-8,10H2,1-2H3;1H.
What are the key properties of 1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonyl-3-methylpiperazine;hydrochloride?
1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonyl-3-methylpiperazine;hydrochloride has a molecular weight of 368.86 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonyl-3-methylpiperazine;hydrochloride is sourced from PubChem (CID 120710454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).