5-oxo-1-(4-oxo-3H-quinazolin-6-yl)pyrrolidine-3-sulfonamide

C12H12N4O4S — CID 168718778

IUPAC5-oxo-1-(4-oxo-3H-quinazolin-6-yl)pyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2ccc3nc[nH]c(=O)c3c2)C1
InChIInChI=1S/C12H12N4O4S/c13-21(19,20)8-4-11(17)16(5-8)7-1-2-10-9(3-7)12(18)15-6-14-10/h1-3,6,8H,4-5H2,(H2,13,19,20)(H,14,15,18)
InChIKeyCMYSIBBBNCHTGB-UHFFFAOYSA-N
MW308.32 g/mol
LogP-0.68
Rot. Bonds2

About 5-oxo-1-(4-oxo-3H-quinazolin-6-yl)pyrrolidine-3-sulfonamide

5-oxo-1-(4-oxo-3H-quinazolin-6-yl)pyrrolidine-3-sulfonamide (PubChem CID 168718778) has the molecular formula C12H12N4O4S and a molecular weight of 308.32 g/mol. Its IUPAC name is 5-oxo-1-(4-oxo-3H-quinazolin-6-yl)pyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name5-oxo-1-(4-oxo-3H-quinazolin-6-yl)pyrrolidine-3-sulfonamide
PubChem CID168718778
Molecular FormulaC12H12N4O4S
Molecular Weight308.32 g/mol
Exact Mass308.06
IUPAC Name5-oxo-1-(4-oxo-3H-quinazolin-6-yl)pyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2ccc3nc[nH]c(=O)c3c2)C1
InChIInChI=1S/C12H12N4O4S/c13-21(19,20)8-4-11(17)16(5-8)7-1-2-10-9(3-7)12(18)15-6-14-10/h1-3,6,8H,4-5H2,(H2,13,19,20)(H,14,15,18)
InChIKeyCMYSIBBBNCHTGB-UHFFFAOYSA-N
XLogP-0.68
TPSA126.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3H-quinazolin-4-one
CID 168660692
[5-oxo-1-(4-oxo-3H-quinazolin-6-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677047
1-(2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168719282
1-(3,4-dibromophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718706
5-oxo-1-pyridin-4-ylpyrrolidine-3-sulfonamide
CID 168719467
1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718709
1-[4-fluoro-3-(hydroxymethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718735
5-oxo-1-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrrolidine-3-sulfonamide
CID 168718761
1-(3H-benzimidazol-5-yl)-4-sulfanylpyrrolidin-2-one
CID 168709953
1-(3-acetylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168716979
1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717870
1-(4-ethynylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168716761

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(4-oxo-3H-quinazolin-6-yl)pyrrolidine-3-sulfonamide?
The IUPAC name of 5-oxo-1-(4-oxo-3H-quinazolin-6-yl)pyrrolidine-3-sulfonamide (CID 168718778) is 5-oxo-1-(4-oxo-3H-quinazolin-6-yl)pyrrolidine-3-sulfonamide.
What is the SMILES notation for 5-oxo-1-(4-oxo-3H-quinazolin-6-yl)pyrrolidine-3-sulfonamide?
The canonical SMILES for 5-oxo-1-(4-oxo-3H-quinazolin-6-yl)pyrrolidine-3-sulfonamide is NS(=O)(=O)C1CC(=O)N(c2ccc3nc[nH]c(=O)c3c2)C1.
What is the InChIKey of 5-oxo-1-(4-oxo-3H-quinazolin-6-yl)pyrrolidine-3-sulfonamide?
The InChIKey is CMYSIBBBNCHTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O4S/c13-21(19,20)8-4-11(17)16(5-8)7-1-2-10-9(3-7)12(18)15-6-14-10/h1-3,6,8H,4-5H2,(H2,13,19,20)(H,14,15,18).
What are the key properties of 5-oxo-1-(4-oxo-3H-quinazolin-6-yl)pyrrolidine-3-sulfonamide?
5-oxo-1-(4-oxo-3H-quinazolin-6-yl)pyrrolidine-3-sulfonamide has a molecular weight of 308.32 g/mol, XLogP of -0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(4-oxo-3H-quinazolin-6-yl)pyrrolidine-3-sulfonamide is sourced from PubChem (CID 168718778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).