3-(4-chlorophenyl)sulfonyl-7-methoxy-1H-quinazoline-2,4-dione

C15H11ClN2O5S — CID 18971498

IUPAC3-(4-chlorophenyl)sulfonyl-7-methoxy-1H-quinazoline-2,4-dione
SMILESCOc1ccc2c(=O)n(S(=O)(=O)c3ccc(Cl)cc3)c(=O)[nH]c2c1
InChIInChI=1S/C15H11ClN2O5S/c1-23-10-4-7-12-13(8-10)17-15(20)18(14(12)19)24(21,22)11-5-2-9(16)3-6-11/h2-8H,1H3,(H,17,20)
InChIKeyGGGMTNLREUZZFM-UHFFFAOYSA-N
MW366.78 g/mol
LogP1.59
Rot. Bonds3

About 3-(4-chlorophenyl)sulfonyl-7-methoxy-1H-quinazoline-2,4-dione

3-(4-chlorophenyl)sulfonyl-7-methoxy-1H-quinazoline-2,4-dione (PubChem CID 18971498) has the molecular formula C15H11ClN2O5S and a molecular weight of 366.78 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-7-methoxy-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-7-methoxy-1H-quinazoline-2,4-dione
PubChem CID18971498
Molecular FormulaC15H11ClN2O5S
Molecular Weight366.78 g/mol
Exact Mass366.01
IUPAC Name3-(4-chlorophenyl)sulfonyl-7-methoxy-1H-quinazoline-2,4-dione
SMILESCOc1ccc2c(=O)n(S(=O)(=O)c3ccc(Cl)cc3)c(=O)[nH]c2c1
InChIInChI=1S/C15H11ClN2O5S/c1-23-10-4-7-12-13(8-10)17-15(20)18(14(12)19)24(21,22)11-5-2-9(16)3-6-11/h2-8H,1H3,(H,17,20)
InChIKeyGGGMTNLREUZZFM-UHFFFAOYSA-N
XLogP1.59
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.78
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-7-methoxy-1H-quinazoline-2,4-dione?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-7-methoxy-1H-quinazoline-2,4-dione (CID 18971498) is 3-(4-chlorophenyl)sulfonyl-7-methoxy-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-7-methoxy-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-7-methoxy-1H-quinazoline-2,4-dione is COc1ccc2c(=O)n(S(=O)(=O)c3ccc(Cl)cc3)c(=O)[nH]c2c1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-7-methoxy-1H-quinazoline-2,4-dione?
The InChIKey is GGGMTNLREUZZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O5S/c1-23-10-4-7-12-13(8-10)17-15(20)18(14(12)19)24(21,22)11-5-2-9(16)3-6-11/h2-8H,1H3,(H,17,20).
What are the key properties of 3-(4-chlorophenyl)sulfonyl-7-methoxy-1H-quinazoline-2,4-dione?
3-(4-chlorophenyl)sulfonyl-7-methoxy-1H-quinazoline-2,4-dione has a molecular weight of 366.78 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-7-methoxy-1H-quinazoline-2,4-dione is sourced from PubChem (CID 18971498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).