7-chloro-3-(4-methylphenyl)sulfonyl-1H-quinazoline-2,4-dione

C15H11ClN2O4S — CID 18971383

IUPAC7-chloro-3-(4-methylphenyl)sulfonyl-1H-quinazoline-2,4-dione
SMILESCc1ccc(S(=O)(=O)n2c(=O)[nH]c3cc(Cl)ccc3c2=O)cc1
InChIInChI=1S/C15H11ClN2O4S/c1-9-2-5-11(6-3-9)23(21,22)18-14(19)12-7-4-10(16)8-13(12)17-15(18)20/h2-8H,1H3,(H,17,20)
InChIKeyDOEHYAWMGUWCLQ-UHFFFAOYSA-N
MW350.78 g/mol
LogP1.89
Rot. Bonds2

About 7-chloro-3-(4-methylphenyl)sulfonyl-1H-quinazoline-2,4-dione

7-chloro-3-(4-methylphenyl)sulfonyl-1H-quinazoline-2,4-dione (PubChem CID 18971383) has the molecular formula C15H11ClN2O4S and a molecular weight of 350.78 g/mol. Its IUPAC name is 7-chloro-3-(4-methylphenyl)sulfonyl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name7-chloro-3-(4-methylphenyl)sulfonyl-1H-quinazoline-2,4-dione
PubChem CID18971383
Molecular FormulaC15H11ClN2O4S
Molecular Weight350.78 g/mol
Exact Mass350.01
IUPAC Name7-chloro-3-(4-methylphenyl)sulfonyl-1H-quinazoline-2,4-dione
SMILESCc1ccc(S(=O)(=O)n2c(=O)[nH]c3cc(Cl)ccc3c2=O)cc1
InChIInChI=1S/C15H11ClN2O4S/c1-9-2-5-11(6-3-9)23(21,22)18-14(19)12-7-4-10(16)8-13(12)17-15(18)20/h2-8H,1H3,(H,17,20)
InChIKeyDOEHYAWMGUWCLQ-UHFFFAOYSA-N
XLogP1.89
TPSA89.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.78
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(4-methylphenyl)sulfonyl-1H-quinazoline-2,4-dione?
The IUPAC name of 7-chloro-3-(4-methylphenyl)sulfonyl-1H-quinazoline-2,4-dione (CID 18971383) is 7-chloro-3-(4-methylphenyl)sulfonyl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 7-chloro-3-(4-methylphenyl)sulfonyl-1H-quinazoline-2,4-dione?
The canonical SMILES for 7-chloro-3-(4-methylphenyl)sulfonyl-1H-quinazoline-2,4-dione is Cc1ccc(S(=O)(=O)n2c(=O)[nH]c3cc(Cl)ccc3c2=O)cc1.
What is the InChIKey of 7-chloro-3-(4-methylphenyl)sulfonyl-1H-quinazoline-2,4-dione?
The InChIKey is DOEHYAWMGUWCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O4S/c1-9-2-5-11(6-3-9)23(21,22)18-14(19)12-7-4-10(16)8-13(12)17-15(18)20/h2-8H,1H3,(H,17,20).
What are the key properties of 7-chloro-3-(4-methylphenyl)sulfonyl-1H-quinazoline-2,4-dione?
7-chloro-3-(4-methylphenyl)sulfonyl-1H-quinazoline-2,4-dione has a molecular weight of 350.78 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(4-methylphenyl)sulfonyl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 18971383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).