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

C14H21FN2O4S — CID 120708128

IUPAC1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonyl-2-methylpiperazine
SMILESCOCCOc1ccc(F)cc1S(=O)(=O)N1CCNCC1C
InChIInChI=1S/C14H21FN2O4S/c1-11-10-16-5-6-17(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
InChIKeyQWCKUUZSUKIIMF-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.83
Rot. Bonds6

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

1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonyl-2-methylpiperazine (PubChem CID 120708128) has the molecular formula C14H21FN2O4S and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonyl-2-methylpiperazine.

Molecular Properties

Compound Name1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonyl-2-methylpiperazine
PubChem CID120708128
Molecular FormulaC14H21FN2O4S
Molecular Weight332.40 g/mol
Exact Mass332.12
IUPAC Name1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonyl-2-methylpiperazine
SMILESCOCCOc1ccc(F)cc1S(=O)(=O)N1CCNCC1C
InChIInChI=1S/C14H21FN2O4S/c1-11-10-16-5-6-17(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
InChIKeyQWCKUUZSUKIIMF-UHFFFAOYSA-N
XLogP0.83
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.83
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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Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonyl-2-methylpiperazine?
The IUPAC name of 1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonyl-2-methylpiperazine (CID 120708128) is 1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonyl-2-methylpiperazine.
What is the SMILES notation for 1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonyl-2-methylpiperazine?
The canonical SMILES for 1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonyl-2-methylpiperazine is COCCOc1ccc(F)cc1S(=O)(=O)N1CCNCC1C.
What is the InChIKey of 1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonyl-2-methylpiperazine?
The InChIKey is QWCKUUZSUKIIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O4S/c1-11-10-16-5-6-17(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.
What are the key properties of 1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonyl-2-methylpiperazine?
1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonyl-2-methylpiperazine has a molecular weight of 332.40 g/mol, XLogP of 0.83, 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-2-methylpiperazine is sourced from PubChem (CID 120708128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).