1-(4-fluoro-2-methylphenyl)-4-propan-2-ylsulfonylpiperazine

C14H21FN2O2S — CID 141358260

IUPAC1-(4-fluoro-2-methylphenyl)-4-propan-2-ylsulfonylpiperazine
SMILESCc1cc(F)ccc1N1CCN(S(=O)(=O)C(C)C)CC1
InChIInChI=1S/C14H21FN2O2S/c1-11(2)20(18,19)17-8-6-16(7-9-17)14-5-4-13(15)10-12(14)3/h4-5,10-11H,6-9H2,1-3H3
InChIKeyNATUNPDEUUMJSB-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.99
Rot. Bonds3

About 1-(4-fluoro-2-methylphenyl)-4-propan-2-ylsulfonylpiperazine

1-(4-fluoro-2-methylphenyl)-4-propan-2-ylsulfonylpiperazine (PubChem CID 141358260) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-4-propan-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-4-propan-2-ylsulfonylpiperazine
PubChem CID141358260
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC Name1-(4-fluoro-2-methylphenyl)-4-propan-2-ylsulfonylpiperazine
SMILESCc1cc(F)ccc1N1CCN(S(=O)(=O)C(C)C)CC1
InChIInChI=1S/C14H21FN2O2S/c1-11(2)20(18,19)17-8-6-16(7-9-17)14-5-4-13(15)10-12(14)3/h4-5,10-11H,6-9H2,1-3H3
InChIKeyNATUNPDEUUMJSB-UHFFFAOYSA-N
XLogP1.99
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-4-propan-2-ylsulfonylpiperazine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-4-propan-2-ylsulfonylpiperazine (CID 141358260) is 1-(4-fluoro-2-methylphenyl)-4-propan-2-ylsulfonylpiperazine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-4-propan-2-ylsulfonylpiperazine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-4-propan-2-ylsulfonylpiperazine is Cc1cc(F)ccc1N1CCN(S(=O)(=O)C(C)C)CC1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-4-propan-2-ylsulfonylpiperazine?
The InChIKey is NATUNPDEUUMJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c1-11(2)20(18,19)17-8-6-16(7-9-17)14-5-4-13(15)10-12(14)3/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-4-propan-2-ylsulfonylpiperazine?
1-(4-fluoro-2-methylphenyl)-4-propan-2-ylsulfonylpiperazine has a molecular weight of 300.40 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-4-propan-2-ylsulfonylpiperazine is sourced from PubChem (CID 141358260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).