2,4-dioxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-quinazoline-6-sulfonamide

C12H10F3N3O4S — CID 121398531

IUPAC2,4-dioxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-quinazoline-6-sulfonamide
SMILESO=c1[nH]c(=O)c2cc(S(=O)(=O)NC3(C(F)(F)F)CC3)ccc2[nH]1
InChIInChI=1S/C12H10F3N3O4S/c13-12(14,15)11(3-4-11)18-23(21,22)6-1-2-8-7(5-6)9(19)17-10(20)16-8/h1-2,5,18H,3-4H2,(H2,16,17,19,20)
InChIKeySWBILSJOVXJVDI-UHFFFAOYSA-N
MW349.29 g/mol
LogP0.59
Rot. Bonds3

About 2,4-dioxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-quinazoline-6-sulfonamide

2,4-dioxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-quinazoline-6-sulfonamide (PubChem CID 121398531) has the molecular formula C12H10F3N3O4S and a molecular weight of 349.29 g/mol. Its IUPAC name is 2,4-dioxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-quinazoline-6-sulfonamide.

Molecular Properties

Compound Name2,4-dioxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-quinazoline-6-sulfonamide
PubChem CID121398531
Molecular FormulaC12H10F3N3O4S
Molecular Weight349.29 g/mol
Exact Mass349.03
IUPAC Name2,4-dioxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-quinazoline-6-sulfonamide
SMILESO=c1[nH]c(=O)c2cc(S(=O)(=O)NC3(C(F)(F)F)CC3)ccc2[nH]1
InChIInChI=1S/C12H10F3N3O4S/c13-12(14,15)11(3-4-11)18-23(21,22)6-1-2-8-7(5-6)9(19)17-10(20)16-8/h1-2,5,18H,3-4H2,(H2,16,17,19,20)
InChIKeySWBILSJOVXJVDI-UHFFFAOYSA-N
XLogP0.59
TPSA111.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.29
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-quinazoline-6-sulfonamide?
The IUPAC name of 2,4-dioxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-quinazoline-6-sulfonamide (CID 121398531) is 2,4-dioxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-quinazoline-6-sulfonamide.
What is the SMILES notation for 2,4-dioxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-quinazoline-6-sulfonamide?
The canonical SMILES for 2,4-dioxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-quinazoline-6-sulfonamide is O=c1[nH]c(=O)c2cc(S(=O)(=O)NC3(C(F)(F)F)CC3)ccc2[nH]1.
What is the InChIKey of 2,4-dioxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-quinazoline-6-sulfonamide?
The InChIKey is SWBILSJOVXJVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O4S/c13-12(14,15)11(3-4-11)18-23(21,22)6-1-2-8-7(5-6)9(19)17-10(20)16-8/h1-2,5,18H,3-4H2,(H2,16,17,19,20).
What are the key properties of 2,4-dioxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-quinazoline-6-sulfonamide?
2,4-dioxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-quinazoline-6-sulfonamide has a molecular weight of 349.29 g/mol, XLogP of 0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-quinazoline-6-sulfonamide is sourced from PubChem (CID 121398531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).