2-[4-(3-fluoro-5-methylphenyl)sulfonylpiperazin-1-yl]butan-1-ol

C15H23FN2O3S — CID 75387242

IUPAC2-[4-(3-fluoro-5-methylphenyl)sulfonylpiperazin-1-yl]butan-1-ol
SMILESCCC(CO)N1CCN(S(=O)(=O)c2cc(C)cc(F)c2)CC1
InChIInChI=1S/C15H23FN2O3S/c1-3-14(11-19)17-4-6-18(7-5-17)22(20,21)15-9-12(2)8-13(16)10-15/h8-10,14,19H,3-7,11H2,1-2H3
InChIKeyMZWPHTAFRNRXAE-UHFFFAOYSA-N
MW330.42 g/mol
LogP1.21
Rot. Bonds5

About 2-[4-(3-fluoro-5-methylphenyl)sulfonylpiperazin-1-yl]butan-1-ol

2-[4-(3-fluoro-5-methylphenyl)sulfonylpiperazin-1-yl]butan-1-ol (PubChem CID 75387242) has the molecular formula C15H23FN2O3S and a molecular weight of 330.42 g/mol. Its IUPAC name is 2-[4-(3-fluoro-5-methylphenyl)sulfonylpiperazin-1-yl]butan-1-ol.

Molecular Properties

Compound Name2-[4-(3-fluoro-5-methylphenyl)sulfonylpiperazin-1-yl]butan-1-ol
PubChem CID75387242
Molecular FormulaC15H23FN2O3S
Molecular Weight330.42 g/mol
Exact Mass330.14
IUPAC Name2-[4-(3-fluoro-5-methylphenyl)sulfonylpiperazin-1-yl]butan-1-ol
SMILESCCC(CO)N1CCN(S(=O)(=O)c2cc(C)cc(F)c2)CC1
InChIInChI=1S/C15H23FN2O3S/c1-3-14(11-19)17-4-6-18(7-5-17)22(20,21)15-9-12(2)8-13(16)10-15/h8-10,14,19H,3-7,11H2,1-2H3
InChIKeyMZWPHTAFRNRXAE-UHFFFAOYSA-N
XLogP1.21
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluoro-5-methylphenyl)sulfonylpiperazin-1-yl]butan-1-ol?
The IUPAC name of 2-[4-(3-fluoro-5-methylphenyl)sulfonylpiperazin-1-yl]butan-1-ol (CID 75387242) is 2-[4-(3-fluoro-5-methylphenyl)sulfonylpiperazin-1-yl]butan-1-ol.
What is the SMILES notation for 2-[4-(3-fluoro-5-methylphenyl)sulfonylpiperazin-1-yl]butan-1-ol?
The canonical SMILES for 2-[4-(3-fluoro-5-methylphenyl)sulfonylpiperazin-1-yl]butan-1-ol is CCC(CO)N1CCN(S(=O)(=O)c2cc(C)cc(F)c2)CC1.
What is the InChIKey of 2-[4-(3-fluoro-5-methylphenyl)sulfonylpiperazin-1-yl]butan-1-ol?
The InChIKey is MZWPHTAFRNRXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O3S/c1-3-14(11-19)17-4-6-18(7-5-17)22(20,21)15-9-12(2)8-13(16)10-15/h8-10,14,19H,3-7,11H2,1-2H3.
What are the key properties of 2-[4-(3-fluoro-5-methylphenyl)sulfonylpiperazin-1-yl]butan-1-ol?
2-[4-(3-fluoro-5-methylphenyl)sulfonylpiperazin-1-yl]butan-1-ol has a molecular weight of 330.42 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluoro-5-methylphenyl)sulfonylpiperazin-1-yl]butan-1-ol is sourced from PubChem (CID 75387242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).