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

C22H15Cl2N3O6S — CID 18971539

IUPACN-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-N-(2-hydroxyphenyl)acetamide
SMILESCC(=O)N(c1ccccc1O)n1c(=O)n(S(=O)(=O)c2ccc(Cl)cc2)c(=O)c2ccc(Cl)cc21
InChIInChI=1S/C22H15Cl2N3O6S/c1-13(28)25(18-4-2-3-5-20(18)29)26-19-12-15(24)8-11-17(19)21(30)27(22(26)31)34(32,33)16-9-6-14(23)7-10-16/h2-12,29H,1H3
InChIKeyOESHWEFGMXGYOV-UHFFFAOYSA-N
MW520.35 g/mol
LogP3.23
Rot. Bonds4

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

N-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-N-(2-hydroxyphenyl)acetamide (PubChem CID 18971539) has the molecular formula C22H15Cl2N3O6S and a molecular weight of 520.35 g/mol. Its IUPAC name is N-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-N-(2-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-N-(2-hydroxyphenyl)acetamide
PubChem CID18971539
Molecular FormulaC22H15Cl2N3O6S
Molecular Weight520.35 g/mol
Exact Mass519.01
IUPAC NameN-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-N-(2-hydroxyphenyl)acetamide
SMILESCC(=O)N(c1ccccc1O)n1c(=O)n(S(=O)(=O)c2ccc(Cl)cc2)c(=O)c2ccc(Cl)cc21
InChIInChI=1S/C22H15Cl2N3O6S/c1-13(28)25(18-4-2-3-5-20(18)29)26-19-12-15(24)8-11-17(19)21(30)27(22(26)31)34(32,33)16-9-6-14(23)7-10-16/h2-12,29H,1H3
InChIKeyOESHWEFGMXGYOV-UHFFFAOYSA-N
XLogP3.23
TPSA118.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-N-(2-hydroxyphenyl)acetamide?
The IUPAC name of N-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-N-(2-hydroxyphenyl)acetamide (CID 18971539) is N-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-N-(2-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-N-(2-hydroxyphenyl)acetamide?
The canonical SMILES for N-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-N-(2-hydroxyphenyl)acetamide is CC(=O)N(c1ccccc1O)n1c(=O)n(S(=O)(=O)c2ccc(Cl)cc2)c(=O)c2ccc(Cl)cc21.
What is the InChIKey of N-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-N-(2-hydroxyphenyl)acetamide?
The InChIKey is OESHWEFGMXGYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2N3O6S/c1-13(28)25(18-4-2-3-5-20(18)29)26-19-12-15(24)8-11-17(19)21(30)27(22(26)31)34(32,33)16-9-6-14(23)7-10-16/h2-12,29H,1H3.
What are the key properties of N-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-N-(2-hydroxyphenyl)acetamide?
N-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-N-(2-hydroxyphenyl)acetamide has a molecular weight of 520.35 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-N-(2-hydroxyphenyl)acetamide is sourced from PubChem (CID 18971539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).