[2-(difluoromethoxy)phenyl]-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone

C22H20F2N2O4S — CID 166230977

IUPAC[2-(difluoromethoxy)phenyl]-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone
SMILESO=C(c1ccccc1OC(F)F)N1CCN(S(=O)(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C22H20F2N2O4S/c23-22(24)30-19-10-4-3-9-18(19)21(27)25-12-14-26(15-13-25)31(28,29)20-11-5-7-16-6-1-2-8-17(16)20/h1-11,22H,12-15H2
InChIKeyHUGFYVVQCMISJC-UHFFFAOYSA-N
MW446.48 g/mol
LogP3.59
Rot. Bonds5

About [2-(difluoromethoxy)phenyl]-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone

[2-(difluoromethoxy)phenyl]-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone (PubChem CID 166230977) has the molecular formula C22H20F2N2O4S and a molecular weight of 446.48 g/mol. Its IUPAC name is [2-(difluoromethoxy)phenyl]-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(difluoromethoxy)phenyl]-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone
PubChem CID166230977
Molecular FormulaC22H20F2N2O4S
Molecular Weight446.48 g/mol
Exact Mass446.11
IUPAC Name[2-(difluoromethoxy)phenyl]-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone
SMILESO=C(c1ccccc1OC(F)F)N1CCN(S(=O)(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C22H20F2N2O4S/c23-22(24)30-19-10-4-3-9-18(19)21(27)25-12-14-26(15-13-25)31(28,29)20-11-5-7-16-6-1-2-8-17(16)20/h1-11,22H,12-15H2
InChIKeyHUGFYVVQCMISJC-UHFFFAOYSA-N
XLogP3.59
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(difluoromethoxy)phenyl]-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 30280509
[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[2-(difluoromethoxy)phenyl]methanone
CID 34343631
[2-(difluoromethoxy)phenyl]-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 2540987
(2-chloro-4-fluorophenyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone
CID 55548039
[2-(difluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 43391804
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-naphthalen-1-ylmethanone;oxalic acid
CID 171154796
3-[2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione
CID 39259082
[2-(difluoromethoxy)-3-methoxyphenyl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 55339570
1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55470739
1-[5-(difluoromethoxy)naphthalen-1-yl]sulfonylpiperazine
CID 176668113
4-amino-1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]butan-1-one
CID 119278804
[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-naphthalen-1-ylmethanone
CID 4807376

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethoxy)phenyl]-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of [2-(difluoromethoxy)phenyl]-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone (CID 166230977) is [2-(difluoromethoxy)phenyl]-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(difluoromethoxy)phenyl]-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(difluoromethoxy)phenyl]-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone is O=C(c1ccccc1OC(F)F)N1CCN(S(=O)(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of [2-(difluoromethoxy)phenyl]-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone?
The InChIKey is HUGFYVVQCMISJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O4S/c23-22(24)30-19-10-4-3-9-18(19)21(27)25-12-14-26(15-13-25)31(28,29)20-11-5-7-16-6-1-2-8-17(16)20/h1-11,22H,12-15H2.
What are the key properties of [2-(difluoromethoxy)phenyl]-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone?
[2-(difluoromethoxy)phenyl]-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone has a molecular weight of 446.48 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethoxy)phenyl]-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 166230977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).