1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one

C23H22N2O4S — CID 11384675

IUPAC1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one
SMILESO=C1OCc2ccccc2N1C1CCN(S(=O)(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C23H22N2O4S/c26-23-25(21-10-4-2-7-18(21)16-29-23)19-12-14-24(15-13-19)30(27,28)22-11-5-8-17-6-1-3-9-20(17)22/h1-11,19H,12-16H2
InChIKeyTYYXFZFUUWYFQO-UHFFFAOYSA-N
MW422.51 g/mol
LogP4.15
Rot. Bonds3

About 1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one

1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one (PubChem CID 11384675) has the molecular formula C23H22N2O4S and a molecular weight of 422.51 g/mol. Its IUPAC name is 1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one.

Molecular Properties

Compound Name1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one
PubChem CID11384675
Molecular FormulaC23H22N2O4S
Molecular Weight422.51 g/mol
Exact Mass422.13
IUPAC Name1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one
SMILESO=C1OCc2ccccc2N1C1CCN(S(=O)(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C23H22N2O4S/c26-23-25(21-10-4-2-7-18(21)16-29-23)19-12-14-24(15-13-19)30(27,28)22-11-5-8-17-6-1-3-9-20(17)22/h1-11,19H,12-16H2
InChIKeyTYYXFZFUUWYFQO-UHFFFAOYSA-N
XLogP4.15
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one?
The IUPAC name of 1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one (CID 11384675) is 1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one.
What is the SMILES notation for 1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one?
The canonical SMILES for 1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one is O=C1OCc2ccccc2N1C1CCN(S(=O)(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of 1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one?
The InChIKey is TYYXFZFUUWYFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4S/c26-23-25(21-10-4-2-7-18(21)16-29-23)19-12-14-24(15-13-19)30(27,28)22-11-5-8-17-6-1-3-9-20(17)22/h1-11,19H,12-16H2.
What are the key properties of 1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one?
1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one has a molecular weight of 422.51 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one is sourced from PubChem (CID 11384675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).