N-[2,4-dioxo-7-(trifluoromethyl)-1H-quinazolin-3-yl]methanesulfonamide

C10H8F3N3O4S — CID 54467541

IUPACN-[2,4-dioxo-7-(trifluoromethyl)-1H-quinazolin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)Nn1c(=O)[nH]c2cc(C(F)(F)F)ccc2c1=O
InChIInChI=1S/C10H8F3N3O4S/c1-21(19,20)15-16-8(17)6-3-2-5(10(11,12)13)4-7(6)14-9(16)18/h2-4,15H,1H3,(H,14,18)
InChIKeyXFZGWJTUPYLLFO-UHFFFAOYSA-N
MW323.25 g/mol
LogP0.21
Rot. Bonds2

About N-[2,4-dioxo-7-(trifluoromethyl)-1H-quinazolin-3-yl]methanesulfonamide

N-[2,4-dioxo-7-(trifluoromethyl)-1H-quinazolin-3-yl]methanesulfonamide (PubChem CID 54467541) has the molecular formula C10H8F3N3O4S and a molecular weight of 323.25 g/mol. Its IUPAC name is N-[2,4-dioxo-7-(trifluoromethyl)-1H-quinazolin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2,4-dioxo-7-(trifluoromethyl)-1H-quinazolin-3-yl]methanesulfonamide
PubChem CID54467541
Molecular FormulaC10H8F3N3O4S
Molecular Weight323.25 g/mol
Exact Mass323.02
IUPAC NameN-[2,4-dioxo-7-(trifluoromethyl)-1H-quinazolin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)Nn1c(=O)[nH]c2cc(C(F)(F)F)ccc2c1=O
InChIInChI=1S/C10H8F3N3O4S/c1-21(19,20)15-16-8(17)6-3-2-5(10(11,12)13)4-7(6)14-9(16)18/h2-4,15H,1H3,(H,14,18)
InChIKeyXFZGWJTUPYLLFO-UHFFFAOYSA-N
XLogP0.21
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.25
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2,4-dioxo-7-(trifluoromethyl)-1H-quinazolin-3-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Amino-1H-quinazoline-2,4-dione
CID 968929
N-(2-methyl-4-oxo-1,2-dihydroquinazolin-3-yl)methanesulfonamide
CID 4088451
N-{6-[(2-hydroxy-ethyl)-methyl-amino]-2,4-dioxo-7-trifluoromethyl-1,4-dihydro-2H-quinazolin-3-yl}-methanesulfonamide
CID 11538495
N-[6-morpholin-4-yl-2,4-dioxo-7-(trifluoromethyl)-1H-quinazolin-3-yl]methanesulfonamide
CID 11682936
N-[6-(1,4-oxazepan-4-yl)-2,4-dioxo-7-(trifluoromethyl)-1H-quinazolin-3-yl]methanesulfonamide
CID 11704497
N-[6-(2-hydroxy-ethylamino)-2,4-dioxo-7-trifluoromethyl-1,4-dihydro-2H-quinazolin-3-yl]-methanesulfonamide
CID 11717883
N-(7-cyano-2,4-dioxo-1H-quinazolin-3-yl)methanesulfonamide
CID 53918030
3-amino-6-fluoro-2-sulfanylidene-1H-quinazolin-4-one
CID 72548693
N-(4'-oxo-1',4'-dihydro-3'H-spiro[cyclopentane-1,2'-quinazolin]-3'-yl)methanesulfonamide
CID 1518458
N-[6-(ethylamino)-2,4-dioxo-7-(trifluoromethyl)-1H-quinazolin-3-yl]methanesulfonamide
CID 57401697
7-Trifluoromethyl-3-hydroxy-quinazoline-2,4-dione
CID 66571808
3-fluoro-N-(6-fluoro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzamide
CID 127037771

Frequently Asked Questions

What is the IUPAC name of N-[2,4-dioxo-7-(trifluoromethyl)-1H-quinazolin-3-yl]methanesulfonamide?
The IUPAC name of N-[2,4-dioxo-7-(trifluoromethyl)-1H-quinazolin-3-yl]methanesulfonamide (CID 54467541) is N-[2,4-dioxo-7-(trifluoromethyl)-1H-quinazolin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[2,4-dioxo-7-(trifluoromethyl)-1H-quinazolin-3-yl]methanesulfonamide?
The canonical SMILES for N-[2,4-dioxo-7-(trifluoromethyl)-1H-quinazolin-3-yl]methanesulfonamide is CS(=O)(=O)Nn1c(=O)[nH]c2cc(C(F)(F)F)ccc2c1=O.
What is the InChIKey of N-[2,4-dioxo-7-(trifluoromethyl)-1H-quinazolin-3-yl]methanesulfonamide?
The InChIKey is XFZGWJTUPYLLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O4S/c1-21(19,20)15-16-8(17)6-3-2-5(10(11,12)13)4-7(6)14-9(16)18/h2-4,15H,1H3,(H,14,18).
What are the key properties of N-[2,4-dioxo-7-(trifluoromethyl)-1H-quinazolin-3-yl]methanesulfonamide?
N-[2,4-dioxo-7-(trifluoromethyl)-1H-quinazolin-3-yl]methanesulfonamide has a molecular weight of 323.25 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-dioxo-7-(trifluoromethyl)-1H-quinazolin-3-yl]methanesulfonamide is sourced from PubChem (CID 54467541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).