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

C14H9ClN2O5S — CID 22347441

IUPAC7-chloro-3-(4-hydroxyphenyl)sulfonyl-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2cc(Cl)ccc2c(=O)n1S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C14H9ClN2O5S/c15-8-1-6-11-12(7-8)16-14(20)17(13(11)19)23(21,22)10-4-2-9(18)3-5-10/h1-7,18H,(H,16,20)
InChIKeyXBFRDDJFHYVGMH-UHFFFAOYSA-N
MW352.76 g/mol
LogP1.29
Rot. Bonds2

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

7-chloro-3-(4-hydroxyphenyl)sulfonyl-1H-quinazoline-2,4-dione (PubChem CID 22347441) has the molecular formula C14H9ClN2O5S and a molecular weight of 352.76 g/mol. Its IUPAC name is 7-chloro-3-(4-hydroxyphenyl)sulfonyl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name7-chloro-3-(4-hydroxyphenyl)sulfonyl-1H-quinazoline-2,4-dione
PubChem CID22347441
Molecular FormulaC14H9ClN2O5S
Molecular Weight352.76 g/mol
Exact Mass351.99
IUPAC Name7-chloro-3-(4-hydroxyphenyl)sulfonyl-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2cc(Cl)ccc2c(=O)n1S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C14H9ClN2O5S/c15-8-1-6-11-12(7-8)16-14(20)17(13(11)19)23(21,22)10-4-2-9(18)3-5-10/h1-7,18H,(H,16,20)
InChIKeyXBFRDDJFHYVGMH-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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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(4-hydroxyphenyl)sulfonyl-1H-quinazoline-2,4-dione?
The IUPAC name of 7-chloro-3-(4-hydroxyphenyl)sulfonyl-1H-quinazoline-2,4-dione (CID 22347441) is 7-chloro-3-(4-hydroxyphenyl)sulfonyl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 7-chloro-3-(4-hydroxyphenyl)sulfonyl-1H-quinazoline-2,4-dione?
The canonical SMILES for 7-chloro-3-(4-hydroxyphenyl)sulfonyl-1H-quinazoline-2,4-dione is O=c1[nH]c2cc(Cl)ccc2c(=O)n1S(=O)(=O)c1ccc(O)cc1.
What is the InChIKey of 7-chloro-3-(4-hydroxyphenyl)sulfonyl-1H-quinazoline-2,4-dione?
The InChIKey is XBFRDDJFHYVGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O5S/c15-8-1-6-11-12(7-8)16-14(20)17(13(11)19)23(21,22)10-4-2-9(18)3-5-10/h1-7,18H,(H,16,20).
What are the key properties of 7-chloro-3-(4-hydroxyphenyl)sulfonyl-1H-quinazoline-2,4-dione?
7-chloro-3-(4-hydroxyphenyl)sulfonyl-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 7-chloro-3-(4-hydroxyphenyl)sulfonyl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 22347441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).