N-[3-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-2-hydroxyphenyl]acetamide

C22H15Cl2N3O6S — CID 22442394

IUPACN-[3-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-2-hydroxyphenyl]acetamide
SMILESCC(=O)Nc1cccc(-n2c(=O)n(S(=O)(=O)c3ccc(Cl)cc3)c(=O)c3ccc(Cl)cc32)c1O
InChIInChI=1S/C22H15Cl2N3O6S/c1-12(28)25-17-3-2-4-18(20(17)29)26-19-11-14(24)7-10-16(19)21(30)27(22(26)31)34(32,33)15-8-5-13(23)6-9-15/h2-11,29H,1H3,(H,25,28)
InChIKeyXCEUCZLAPCNJGF-UHFFFAOYSA-N
MW520.35 g/mol
LogP3.36
Rot. Bonds4

About N-[3-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-2-hydroxyphenyl]acetamide

N-[3-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-2-hydroxyphenyl]acetamide (PubChem CID 22442394) has the molecular formula C22H15Cl2N3O6S and a molecular weight of 520.35 g/mol. Its IUPAC name is N-[3-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-2-hydroxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-2-hydroxyphenyl]acetamide
PubChem CID22442394
Molecular FormulaC22H15Cl2N3O6S
Molecular Weight520.35 g/mol
Exact Mass519.01
IUPAC NameN-[3-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-2-hydroxyphenyl]acetamide
SMILESCC(=O)Nc1cccc(-n2c(=O)n(S(=O)(=O)c3ccc(Cl)cc3)c(=O)c3ccc(Cl)cc32)c1O
InChIInChI=1S/C22H15Cl2N3O6S/c1-12(28)25-17-3-2-4-18(20(17)29)26-19-11-14(24)7-10-16(19)21(30)27(22(26)31)34(32,33)15-8-5-13(23)6-9-15/h2-11,29H,1H3,(H,25,28)
InChIKeyXCEUCZLAPCNJGF-UHFFFAOYSA-N
XLogP3.36
TPSA127.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.35
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-2-hydroxyphenyl]acetamide?
The IUPAC name of N-[3-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-2-hydroxyphenyl]acetamide (CID 22442394) is N-[3-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-2-hydroxyphenyl]acetamide.
What is the SMILES notation for N-[3-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-2-hydroxyphenyl]acetamide?
The canonical SMILES for N-[3-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-2-hydroxyphenyl]acetamide is CC(=O)Nc1cccc(-n2c(=O)n(S(=O)(=O)c3ccc(Cl)cc3)c(=O)c3ccc(Cl)cc32)c1O.
What is the InChIKey of N-[3-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-2-hydroxyphenyl]acetamide?
The InChIKey is XCEUCZLAPCNJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2N3O6S/c1-12(28)25-17-3-2-4-18(20(17)29)26-19-11-14(24)7-10-16(19)21(30)27(22(26)31)34(32,33)15-8-5-13(23)6-9-15/h2-11,29H,1H3,(H,25,28).
What are the key properties of N-[3-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-2-hydroxyphenyl]acetamide?
N-[3-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-2-hydroxyphenyl]acetamide has a molecular weight of 520.35 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-2-hydroxyphenyl]acetamide is sourced from PubChem (CID 22442394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).