N-[6-(1-methylpyrrol-2-yl)-2,4-dioxo-7-(trifluoromethyl)-1H-quinazolin-3-yl]methanesulfonamide

C15H13F3N4O4S — CID 11965613

IUPACN-[6-(1-methylpyrrol-2-yl)-2,4-dioxo-7-(trifluoromethyl)-1H-quinazolin-3-yl]methanesulfonamide
SMILESCn1cccc1-c1cc2c(=O)n(NS(C)(=O)=O)c(=O)[nH]c2cc1C(F)(F)F
InChIInChI=1S/C15H13F3N4O4S/c1-21-5-3-4-12(21)8-6-9-11(7-10(8)15(16,17)18)19-14(24)22(13(9)23)20-27(2,25)26/h3-7,20H,1-2H3,(H,19,24)
InChIKeyWAQMWJSDMARSSB-UHFFFAOYSA-N
MW402.35 g/mol
LogP1.22
Rot. Bonds3

About N-[6-(1-methylpyrrol-2-yl)-2,4-dioxo-7-(trifluoromethyl)-1H-quinazolin-3-yl]methanesulfonamide

N-[6-(1-methylpyrrol-2-yl)-2,4-dioxo-7-(trifluoromethyl)-1H-quinazolin-3-yl]methanesulfonamide (PubChem CID 11965613) has the molecular formula C15H13F3N4O4S and a molecular weight of 402.35 g/mol. Its IUPAC name is N-[6-(1-methylpyrrol-2-yl)-2,4-dioxo-7-(trifluoromethyl)-1H-quinazolin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(1-methylpyrrol-2-yl)-2,4-dioxo-7-(trifluoromethyl)-1H-quinazolin-3-yl]methanesulfonamide
PubChem CID11965613
Molecular FormulaC15H13F3N4O4S
Molecular Weight402.35 g/mol
Exact Mass402.06
IUPAC NameN-[6-(1-methylpyrrol-2-yl)-2,4-dioxo-7-(trifluoromethyl)-1H-quinazolin-3-yl]methanesulfonamide
SMILESCn1cccc1-c1cc2c(=O)n(NS(C)(=O)=O)c(=O)[nH]c2cc1C(F)(F)F
InChIInChI=1S/C15H13F3N4O4S/c1-21-5-3-4-12(21)8-6-9-11(7-10(8)15(16,17)18)19-14(24)22(13(9)23)20-27(2,25)26/h3-7,20H,1-2H3,(H,19,24)
InChIKeyWAQMWJSDMARSSB-UHFFFAOYSA-N
XLogP1.22
TPSA105.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.35
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[6-(1-methylpyrrol-2-yl)-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

Frequently Asked Questions

What is the IUPAC name of N-[6-(1-methylpyrrol-2-yl)-2,4-dioxo-7-(trifluoromethyl)-1H-quinazolin-3-yl]methanesulfonamide?
The IUPAC name of N-[6-(1-methylpyrrol-2-yl)-2,4-dioxo-7-(trifluoromethyl)-1H-quinazolin-3-yl]methanesulfonamide (CID 11965613) is N-[6-(1-methylpyrrol-2-yl)-2,4-dioxo-7-(trifluoromethyl)-1H-quinazolin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[6-(1-methylpyrrol-2-yl)-2,4-dioxo-7-(trifluoromethyl)-1H-quinazolin-3-yl]methanesulfonamide?
The canonical SMILES for N-[6-(1-methylpyrrol-2-yl)-2,4-dioxo-7-(trifluoromethyl)-1H-quinazolin-3-yl]methanesulfonamide is Cn1cccc1-c1cc2c(=O)n(NS(C)(=O)=O)c(=O)[nH]c2cc1C(F)(F)F.
What is the InChIKey of N-[6-(1-methylpyrrol-2-yl)-2,4-dioxo-7-(trifluoromethyl)-1H-quinazolin-3-yl]methanesulfonamide?
The InChIKey is WAQMWJSDMARSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O4S/c1-21-5-3-4-12(21)8-6-9-11(7-10(8)15(16,17)18)19-14(24)22(13(9)23)20-27(2,25)26/h3-7,20H,1-2H3,(H,19,24).
What are the key properties of N-[6-(1-methylpyrrol-2-yl)-2,4-dioxo-7-(trifluoromethyl)-1H-quinazolin-3-yl]methanesulfonamide?
N-[6-(1-methylpyrrol-2-yl)-2,4-dioxo-7-(trifluoromethyl)-1H-quinazolin-3-yl]methanesulfonamide has a molecular weight of 402.35 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-methylpyrrol-2-yl)-2,4-dioxo-7-(trifluoromethyl)-1H-quinazolin-3-yl]methanesulfonamide is sourced from PubChem (CID 11965613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).