3-(4-chlorophenyl)sulfonyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

C19H20ClFN2O3S — CID 4791754

IUPAC3-(4-chlorophenyl)sulfonyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCS(=O)(=O)c1ccc(Cl)cc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H20ClFN2O3S/c20-15-1-7-18(8-2-15)27(25,26)14-9-19(24)23-12-10-22(11-13-23)17-5-3-16(21)4-6-17/h1-8H,9-14H2
InChIKeyIFZVYRFMBKVNHQ-UHFFFAOYSA-N
MW410.90 g/mol
LogP2.99
Rot. Bonds5

About 3-(4-chlorophenyl)sulfonyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

3-(4-chlorophenyl)sulfonyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one (PubChem CID 4791754) has the molecular formula C19H20ClFN2O3S and a molecular weight of 410.90 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
PubChem CID4791754
Molecular FormulaC19H20ClFN2O3S
Molecular Weight410.90 g/mol
Exact Mass410.09
IUPAC Name3-(4-chlorophenyl)sulfonyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCS(=O)(=O)c1ccc(Cl)cc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H20ClFN2O3S/c20-15-1-7-18(8-2-15)27(25,26)14-9-19(24)23-12-10-22(11-13-23)17-5-3-16(21)4-6-17/h1-8H,9-14H2
InChIKeyIFZVYRFMBKVNHQ-UHFFFAOYSA-N
XLogP2.99
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.90
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one (CID 4791754) is 3-(4-chlorophenyl)sulfonyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one is O=C(CCS(=O)(=O)c1ccc(Cl)cc1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The InChIKey is IFZVYRFMBKVNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O3S/c20-15-1-7-18(8-2-15)27(25,26)14-9-19(24)23-12-10-22(11-13-23)17-5-3-16(21)4-6-17/h1-8H,9-14H2.
What are the key properties of 3-(4-chlorophenyl)sulfonyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
3-(4-chlorophenyl)sulfonyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one has a molecular weight of 410.90 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 4791754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).