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

C22H15Cl2N3O5S — CID 18971529

IUPACN-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)n1c(=O)n(S(=O)(=O)c2ccc(Cl)cc2)c(=O)c2ccc(Cl)cc21
InChIInChI=1S/C22H15Cl2N3O5S/c1-14(28)25(17-5-3-2-4-6-17)26-20-13-16(24)9-12-19(20)21(29)27(22(26)30)33(31,32)18-10-7-15(23)8-11-18/h2-13H,1H3
InChIKeyFRYRFVWHMYOOCA-UHFFFAOYSA-N
MW504.35 g/mol
LogP3.52
Rot. Bonds4

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

N-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-N-phenylacetamide (PubChem CID 18971529) has the molecular formula C22H15Cl2N3O5S and a molecular weight of 504.35 g/mol. Its IUPAC name is N-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-N-phenylacetamide
PubChem CID18971529
Molecular FormulaC22H15Cl2N3O5S
Molecular Weight504.35 g/mol
Exact Mass503.01
IUPAC NameN-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)n1c(=O)n(S(=O)(=O)c2ccc(Cl)cc2)c(=O)c2ccc(Cl)cc21
InChIInChI=1S/C22H15Cl2N3O5S/c1-14(28)25(17-5-3-2-4-6-17)26-20-13-16(24)9-12-19(20)21(29)27(22(26)30)33(31,32)18-10-7-15(23)8-11-18/h2-13H,1H3
InChIKeyFRYRFVWHMYOOCA-UHFFFAOYSA-N
XLogP3.52
TPSA98.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.35
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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-phenylacetamide?
The IUPAC name of N-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-N-phenylacetamide (CID 18971529) is N-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-N-phenylacetamide.
What is the SMILES notation for N-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-N-phenylacetamide?
The canonical SMILES for N-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-N-phenylacetamide is CC(=O)N(c1ccccc1)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-phenylacetamide?
The InChIKey is FRYRFVWHMYOOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2N3O5S/c1-14(28)25(17-5-3-2-4-6-17)26-20-13-16(24)9-12-19(20)21(29)27(22(26)30)33(31,32)18-10-7-15(23)8-11-18/h2-13H,1H3.
What are the key properties of N-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-N-phenylacetamide?
N-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-N-phenylacetamide has a molecular weight of 504.35 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 7 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-phenylacetamide is sourced from PubChem (CID 18971529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).