(3-fluorophenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone

C21H19FN2O3S — CID 1151517

IUPAC(3-fluorophenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESO=C(c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C21H19FN2O3S/c22-19-7-3-6-18(14-19)21(25)23-10-12-24(13-11-23)28(26,27)20-9-8-16-4-1-2-5-17(16)15-20/h1-9,14-15H,10-13H2
InChIKeyFHOUKXHYQAIMQJ-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.13
Rot. Bonds3

About (3-fluorophenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone

(3-fluorophenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone (PubChem CID 1151517) has the molecular formula C21H19FN2O3S and a molecular weight of 398.46 g/mol. Its IUPAC name is (3-fluorophenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
PubChem CID1151517
Molecular FormulaC21H19FN2O3S
Molecular Weight398.46 g/mol
Exact Mass398.11
IUPAC Name(3-fluorophenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESO=C(c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C21H19FN2O3S/c22-19-7-3-6-18(14-19)21(25)23-10-12-24(13-11-23)28(26,27)20-9-8-16-4-1-2-5-17(16)15-20/h1-9,14-15H,10-13H2
InChIKeyFHOUKXHYQAIMQJ-UHFFFAOYSA-N
XLogP3.13
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (3-fluorophenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone (CID 1151517) is (3-fluorophenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-fluorophenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (3-fluorophenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone is O=C(c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of (3-fluorophenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone?
The InChIKey is FHOUKXHYQAIMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3S/c22-19-7-3-6-18(14-19)21(25)23-10-12-24(13-11-23)28(26,27)20-9-8-16-4-1-2-5-17(16)15-20/h1-9,14-15H,10-13H2.
What are the key properties of (3-fluorophenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone?
(3-fluorophenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone has a molecular weight of 398.46 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 1151517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).