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

C14H9ClN2O5S — CID 22442386

IUPAC3-(4-chlorophenyl)sulfonyl-7-hydroxy-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2cc(O)ccc2c(=O)n1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H9ClN2O5S/c15-8-1-4-10(5-2-8)23(21,22)17-13(19)11-6-3-9(18)7-12(11)16-14(17)20/h1-7,18H,(H,16,20)
InChIKeyUMQZSZRMVVTKDE-UHFFFAOYSA-N
MW352.76 g/mol
LogP1.29
Rot. Bonds2

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

3-(4-chlorophenyl)sulfonyl-7-hydroxy-1H-quinazoline-2,4-dione (PubChem CID 22442386) has the molecular formula C14H9ClN2O5S and a molecular weight of 352.76 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-7-hydroxy-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-7-hydroxy-1H-quinazoline-2,4-dione
PubChem CID22442386
Molecular FormulaC14H9ClN2O5S
Molecular Weight352.76 g/mol
Exact Mass351.99
IUPAC Name3-(4-chlorophenyl)sulfonyl-7-hydroxy-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2cc(O)ccc2c(=O)n1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H9ClN2O5S/c15-8-1-4-10(5-2-8)23(21,22)17-13(19)11-6-3-9(18)7-12(11)16-14(17)20/h1-7,18H,(H,16,20)
InChIKeyUMQZSZRMVVTKDE-UHFFFAOYSA-N
XLogP1.29
TPSA109.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.76
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-chlorophenyl)sulfonylamino]-N-(3-hydroxyphenyl)benzamide
CID 2312156
4-[(7-hydroxy-2,4(1H,3H)-quinazolinedion-3-yl)sulfonyl]anthranilic acid
CID 9821064
7-chloro-3-(3-hydroxyphenyl)sulfonyl-1H-quinazoline-2,4-dione
CID 9950409
N-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-N-(3-hydroxyphenyl)acetamide
CID 18971370
Methyl 2-[(4-chlorophenyl)sulfonylcarbamoylamino]-4-hydroxybenzoate
CID 18971377
3-(4-chlorobenzenesulfonyl)-7-methoxy-2,4(1H,3H)-quinazolinedione
CID 18971498
3-(4-chlorobenzenesulfonyl)-6,7-dimethoxy-2,4(1H,3H)-quinazolinedione
CID 18971499
7-methoxy-3-(4-toluenesulfonyl)-2,4(1H,3H)-quinazolinedione
CID 18971544
7-chloro-3-(4-hydroxyphenyl)sulfonyl-1H-quinazoline-2,4-dione
CID 22347441
3-(4-chlorophenyl)sulfonyl-7-phenylmethoxy-1H-quinazoline-2,4-dione
CID 22442382
2-[7-chloro-3-(4-chlorophenyl)sulfonyl-2,4-dioxoquinazolin-1-yl]-N-(3-hydroxyphenyl)acetamide
CID 70099539
7-Chloro-1-(3-hydroxyphenyl)quinazoline-2,4-dione
CID 153608752

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-7-hydroxy-1H-quinazoline-2,4-dione?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-7-hydroxy-1H-quinazoline-2,4-dione (CID 22442386) is 3-(4-chlorophenyl)sulfonyl-7-hydroxy-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-7-hydroxy-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-7-hydroxy-1H-quinazoline-2,4-dione is O=c1[nH]c2cc(O)ccc2c(=O)n1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-7-hydroxy-1H-quinazoline-2,4-dione?
The InChIKey is UMQZSZRMVVTKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O5S/c15-8-1-4-10(5-2-8)23(21,22)17-13(19)11-6-3-9(18)7-12(11)16-14(17)20/h1-7,18H,(H,16,20).
What are the key properties of 3-(4-chlorophenyl)sulfonyl-7-hydroxy-1H-quinazoline-2,4-dione?
3-(4-chlorophenyl)sulfonyl-7-hydroxy-1H-quinazoline-2,4-dione has a molecular weight of 352.76 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-7-hydroxy-1H-quinazoline-2,4-dione is sourced from PubChem (CID 22442386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).