2,4-dioxo-1H-quinazoline-5-sulfonyl chloride

C8H5ClN2O4S — CID 121398704

IUPAC2,4-dioxo-1H-quinazoline-5-sulfonyl chloride
SMILESO=c1[nH]c(=O)c2c(S(=O)(=O)Cl)cccc2[nH]1
InChIInChI=1S/C8H5ClN2O4S/c9-16(14,15)5-3-1-2-4-6(5)7(12)11-8(13)10-4/h1-3H,(H2,10,11,12,13)
InChIKeyWOQZZIBLTXFBGP-UHFFFAOYSA-N
MW260.66 g/mol
LogP0.14
Rot. Bonds1

About 2,4-dioxo-1H-quinazoline-5-sulfonyl chloride

2,4-dioxo-1H-quinazoline-5-sulfonyl chloride (PubChem CID 121398704) has the molecular formula C8H5ClN2O4S and a molecular weight of 260.66 g/mol. Its IUPAC name is 2,4-dioxo-1H-quinazoline-5-sulfonyl chloride.

Molecular Properties

Compound Name2,4-dioxo-1H-quinazoline-5-sulfonyl chloride
PubChem CID121398704
Molecular FormulaC8H5ClN2O4S
Molecular Weight260.66 g/mol
Exact Mass259.97
IUPAC Name2,4-dioxo-1H-quinazoline-5-sulfonyl chloride
SMILESO=c1[nH]c(=O)c2c(S(=O)(=O)Cl)cccc2[nH]1
InChIInChI=1S/C8H5ClN2O4S/c9-16(14,15)5-3-1-2-4-6(5)7(12)11-8(13)10-4/h1-3H,(H2,10,11,12,13)
InChIKeyWOQZZIBLTXFBGP-UHFFFAOYSA-N
XLogP0.14
TPSA99.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.66
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(dichloromethoxy)-1H-quinazoline-2,4-dione
CID 19604225
tert-butyl 2,4-dioxo-1H-quinazoline-5-carboxylate
CID 135396137
2-sulfanylidene-3H-1,3-benzoxazole-7-sulfonyl chloride
CID 130882340
6-bromo-5-chloro-1H-quinazoline-2,4-dione
CID 19604402
5-(2-methoxyethyl)-1H-quinazoline-2,4-dione
CID 140789794
2,4-dioxo-6-phenyl-1H-quinazoline-5-sulfonic acid
CID 22642195
1,3-dihydrobenzimidazol-2-one;zinc
CID 174871541
bis(6H-[1,3]dioxolo[4,5-f]quinazoline-7,9-dione);hydrate
CID 70434049
6,7-dimethyl-2,4-dioxo-1H-quinazoline-5-sulfonic acid
CID 22642181
2-propan-2-yl-1H-benzimidazole-4-sulfonyl chloride
CID 83825720
2,4-dioxo-6-propan-2-yl-1H-quinazoline-5-sulfonic acid
CID 22642211
3-methyl-1-benzothiophene-4-sulfonyl chloride
CID 83825267

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-1H-quinazoline-5-sulfonyl chloride?
The IUPAC name of 2,4-dioxo-1H-quinazoline-5-sulfonyl chloride (CID 121398704) is 2,4-dioxo-1H-quinazoline-5-sulfonyl chloride.
What is the SMILES notation for 2,4-dioxo-1H-quinazoline-5-sulfonyl chloride?
The canonical SMILES for 2,4-dioxo-1H-quinazoline-5-sulfonyl chloride is O=c1[nH]c(=O)c2c(S(=O)(=O)Cl)cccc2[nH]1.
What is the InChIKey of 2,4-dioxo-1H-quinazoline-5-sulfonyl chloride?
The InChIKey is WOQZZIBLTXFBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O4S/c9-16(14,15)5-3-1-2-4-6(5)7(12)11-8(13)10-4/h1-3H,(H2,10,11,12,13).
What are the key properties of 2,4-dioxo-1H-quinazoline-5-sulfonyl chloride?
2,4-dioxo-1H-quinazoline-5-sulfonyl chloride has a molecular weight of 260.66 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-1H-quinazoline-5-sulfonyl chloride is sourced from PubChem (CID 121398704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).