1-[7-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-yl]piperazine

C19H21FN2O3S — CID 11653707

IUPAC1-[7-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-yl]piperazine
SMILESO=S(=O)(c1ccc(F)cc1)c1ccc2c(c1)OCCC2N1CCNCC1
InChIInChI=1S/C19H21FN2O3S/c20-14-1-3-15(4-2-14)26(23,24)16-5-6-17-18(7-12-25-19(17)13-16)22-10-8-21-9-11-22/h1-6,13,18,21H,7-12H2
InChIKeyANGGOAVMPQVDFM-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.39
Rot. Bonds3

About 1-[7-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-yl]piperazine

1-[7-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-yl]piperazine (PubChem CID 11653707) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is 1-[7-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-yl]piperazine.

Molecular Properties

Compound Name1-[7-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-yl]piperazine
PubChem CID11653707
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC Name1-[7-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-yl]piperazine
SMILESO=S(=O)(c1ccc(F)cc1)c1ccc2c(c1)OCCC2N1CCNCC1
InChIInChI=1S/C19H21FN2O3S/c20-14-1-3-15(4-2-14)26(23,24)16-5-6-17-18(7-12-25-19(17)13-16)22-10-8-21-9-11-22/h1-6,13,18,21H,7-12H2
InChIKeyANGGOAVMPQVDFM-UHFFFAOYSA-N
XLogP2.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[7-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-yl]piperazine?
The IUPAC name of 1-[7-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-yl]piperazine (CID 11653707) is 1-[7-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-yl]piperazine.
What is the SMILES notation for 1-[7-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-yl]piperazine?
The canonical SMILES for 1-[7-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-yl]piperazine is O=S(=O)(c1ccc(F)cc1)c1ccc2c(c1)OCCC2N1CCNCC1.
What is the InChIKey of 1-[7-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-yl]piperazine?
The InChIKey is ANGGOAVMPQVDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c20-14-1-3-15(4-2-14)26(23,24)16-5-6-17-18(7-12-25-19(17)13-16)22-10-8-21-9-11-22/h1-6,13,18,21H,7-12H2.
What are the key properties of 1-[7-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-yl]piperazine?
1-[7-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-yl]piperazine has a molecular weight of 376.45 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-yl]piperazine is sourced from PubChem (CID 11653707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).