5-chloro-1-[1-(4-fluoronaphthalen-1-yl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one

C23H20ClFN2O4S — CID 68532698

IUPAC5-chloro-1-[1-(4-fluoronaphthalen-1-yl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one
SMILESO=C1OCc2c(Cl)cccc2N1C1CCN(S(=O)(=O)c2ccc(F)c3ccccc23)CC1
InChIInChI=1S/C23H20ClFN2O4S/c24-19-6-3-7-21-18(19)14-31-23(28)27(21)15-10-12-26(13-11-15)32(29,30)22-9-8-20(25)16-4-1-2-5-17(16)22/h1-9,15H,10-14H2
InChIKeyIPIRHAXOPSRARZ-UHFFFAOYSA-N
MW474.94 g/mol
LogP4.94
Rot. Bonds3

About 5-chloro-1-[1-(4-fluoronaphthalen-1-yl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one

5-chloro-1-[1-(4-fluoronaphthalen-1-yl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one (PubChem CID 68532698) has the molecular formula C23H20ClFN2O4S and a molecular weight of 474.94 g/mol. Its IUPAC name is 5-chloro-1-[1-(4-fluoronaphthalen-1-yl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one.

Molecular Properties

Compound Name5-chloro-1-[1-(4-fluoronaphthalen-1-yl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one
PubChem CID68532698
Molecular FormulaC23H20ClFN2O4S
Molecular Weight474.94 g/mol
Exact Mass474.08
IUPAC Name5-chloro-1-[1-(4-fluoronaphthalen-1-yl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one
SMILESO=C1OCc2c(Cl)cccc2N1C1CCN(S(=O)(=O)c2ccc(F)c3ccccc23)CC1
InChIInChI=1S/C23H20ClFN2O4S/c24-19-6-3-7-21-18(19)14-31-23(28)27(21)15-10-12-26(13-11-15)32(29,30)22-9-8-20(25)16-4-1-2-5-17(16)22/h1-9,15H,10-14H2
InChIKeyIPIRHAXOPSRARZ-UHFFFAOYSA-N
XLogP4.94
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.94
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-chloronaphthalen-1-yl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one
CID 68529352
5-chloro-1-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one
CID 68530897
1-[1-(5-chloronaphthalen-1-yl)sulfonylpiperidin-4-yl]-6-fluoro-4H-3,1-benzoxazin-2-one
CID 68531348
6,7-difluoro-1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one
CID 68527661
1-[1-(4-bromo-3-methylphenyl)sulfonylpiperidin-4-yl]-5-chloro-4H-3,1-benzoxazin-2-one
CID 68531356
1-[1-[4-bromo-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-5-chloro-4H-3,1-benzoxazin-2-one
CID 68531724
3-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 91815056
5-chloro-1-(1-quinolin-6-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one
CID 69028522
5-chloro-1-[1-[(5-methyl-2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-yl)sulfonyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one
CID 68531275
6-fluoro-1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one
CID 68532811
6-methyl-1-[1-(4-methylnaphthalen-1-yl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one
CID 68525207
6-chloro-1-[1-(4-chloro-2,5-difluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one
CID 58792674

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[1-(4-fluoronaphthalen-1-yl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one?
The IUPAC name of 5-chloro-1-[1-(4-fluoronaphthalen-1-yl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one (CID 68532698) is 5-chloro-1-[1-(4-fluoronaphthalen-1-yl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one.
What is the SMILES notation for 5-chloro-1-[1-(4-fluoronaphthalen-1-yl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one?
The canonical SMILES for 5-chloro-1-[1-(4-fluoronaphthalen-1-yl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one is O=C1OCc2c(Cl)cccc2N1C1CCN(S(=O)(=O)c2ccc(F)c3ccccc23)CC1.
What is the InChIKey of 5-chloro-1-[1-(4-fluoronaphthalen-1-yl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one?
The InChIKey is IPIRHAXOPSRARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN2O4S/c24-19-6-3-7-21-18(19)14-31-23(28)27(21)15-10-12-26(13-11-15)32(29,30)22-9-8-20(25)16-4-1-2-5-17(16)22/h1-9,15H,10-14H2.
What are the key properties of 5-chloro-1-[1-(4-fluoronaphthalen-1-yl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one?
5-chloro-1-[1-(4-fluoronaphthalen-1-yl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one has a molecular weight of 474.94 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[1-(4-fluoronaphthalen-1-yl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one is sourced from PubChem (CID 68532698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).