[4-(3-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-fluorophenyl)methanone

C21H18ClFN2O3S — CID 166332263

IUPAC[4-(3-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(S(=O)(=O)c2cc3ccccc3cc2Cl)CC1
InChIInChI=1S/C21H18ClFN2O3S/c22-19-13-16-3-1-2-4-17(16)14-20(19)29(27,28)25-11-9-24(10-12-25)21(26)15-5-7-18(23)8-6-15/h1-8,13-14H,9-12H2
InChIKeyNZTRJQAFIXNKLU-UHFFFAOYSA-N
MW432.90 g/mol
LogP3.78
Rot. Bonds3

About [4-(3-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-fluorophenyl)methanone

[4-(3-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 166332263) has the molecular formula C21H18ClFN2O3S and a molecular weight of 432.90 g/mol. Its IUPAC name is [4-(3-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(3-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-fluorophenyl)methanone
PubChem CID166332263
Molecular FormulaC21H18ClFN2O3S
Molecular Weight432.90 g/mol
Exact Mass432.07
IUPAC Name[4-(3-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(S(=O)(=O)c2cc3ccccc3cc2Cl)CC1
InChIInChI=1S/C21H18ClFN2O3S/c22-19-13-16-3-1-2-4-17(16)14-20(19)29(27,28)25-11-9-24(10-12-25)21(26)15-5-7-18(23)8-6-15/h1-8,13-14H,9-12H2
InChIKeyNZTRJQAFIXNKLU-UHFFFAOYSA-N
XLogP3.78
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.90
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(3-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-(3-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-fluorophenyl)methanone (CID 166332263) is [4-(3-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-(3-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-(3-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1CCN(S(=O)(=O)c2cc3ccccc3cc2Cl)CC1.
What is the InChIKey of [4-(3-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is NZTRJQAFIXNKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN2O3S/c22-19-13-16-3-1-2-4-17(16)14-20(19)29(27,28)25-11-9-24(10-12-25)21(26)15-5-7-18(23)8-6-15/h1-8,13-14H,9-12H2.
What are the key properties of [4-(3-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-fluorophenyl)methanone?
[4-(3-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 432.90 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 166332263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).