N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]naphthalene-2-sulfonamide

C22H19N3O3S — CID 90516324

IUPACN-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]naphthalene-2-sulfonamide
SMILESO=c1cc(-c2ccccc2)ncn1CCNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C22H19N3O3S/c26-22-15-21(18-7-2-1-3-8-18)23-16-25(22)13-12-24-29(27,28)20-11-10-17-6-4-5-9-19(17)14-20/h1-11,14-16,24H,12-13H2
InChIKeyXEKBBTDETAQETP-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.04
Rot. Bonds6

About N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]naphthalene-2-sulfonamide

N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]naphthalene-2-sulfonamide (PubChem CID 90516324) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]naphthalene-2-sulfonamide
PubChem CID90516324
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC NameN-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]naphthalene-2-sulfonamide
SMILESO=c1cc(-c2ccccc2)ncn1CCNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C22H19N3O3S/c26-22-15-21(18-7-2-1-3-8-18)23-16-25(22)13-12-24-29(27,28)20-11-10-17-6-4-5-9-19(17)14-20/h1-11,14-16,24H,12-13H2
InChIKeyXEKBBTDETAQETP-UHFFFAOYSA-N
XLogP3.04
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]naphthalene-2-sulfonamide (CID 90516324) is N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]naphthalene-2-sulfonamide is O=c1cc(-c2ccccc2)ncn1CCNS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]naphthalene-2-sulfonamide?
The InChIKey is XEKBBTDETAQETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c26-22-15-21(18-7-2-1-3-8-18)23-16-25(22)13-12-24-29(27,28)20-11-10-17-6-4-5-9-19(17)14-20/h1-11,14-16,24H,12-13H2.
What are the key properties of N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]naphthalene-2-sulfonamide?
N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]naphthalene-2-sulfonamide has a molecular weight of 405.48 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 90516324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).