N-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-6-yl)-4-fluorobenzenesulfonamide

C14H15FN4O3S — CID 135431306

IUPACN-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-6-yl)-4-fluorobenzenesulfonamide
SMILESNc1nc2c(c(=O)[nH]1)CC(NS(=O)(=O)c1ccc(F)cc1)CC2
InChIInChI=1S/C14H15FN4O3S/c15-8-1-4-10(5-2-8)23(21,22)19-9-3-6-12-11(7-9)13(20)18-14(16)17-12/h1-2,4-5,9,19H,3,6-7H2,(H3,16,17,18,20)
InChIKeyUFCAJETWGSQSIN-UHFFFAOYSA-N
MW338.36 g/mol
LogP0.33
Rot. Bonds3

About N-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-6-yl)-4-fluorobenzenesulfonamide

N-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-6-yl)-4-fluorobenzenesulfonamide (PubChem CID 135431306) has the molecular formula C14H15FN4O3S and a molecular weight of 338.36 g/mol. Its IUPAC name is N-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-6-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-6-yl)-4-fluorobenzenesulfonamide
PubChem CID135431306
Molecular FormulaC14H15FN4O3S
Molecular Weight338.36 g/mol
Exact Mass338.08
IUPAC NameN-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-6-yl)-4-fluorobenzenesulfonamide
SMILESNc1nc2c(c(=O)[nH]1)CC(NS(=O)(=O)c1ccc(F)cc1)CC2
InChIInChI=1S/C14H15FN4O3S/c15-8-1-4-10(5-2-8)23(21,22)19-9-3-6-12-11(7-9)13(20)18-14(16)17-12/h1-2,4-5,9,19H,3,6-7H2,(H3,16,17,18,20)
InChIKeyUFCAJETWGSQSIN-UHFFFAOYSA-N
XLogP0.33
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-6-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-6-yl)-4-fluorobenzenesulfonamide (CID 135431306) is N-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-6-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-6-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-6-yl)-4-fluorobenzenesulfonamide is Nc1nc2c(c(=O)[nH]1)CC(NS(=O)(=O)c1ccc(F)cc1)CC2.
What is the InChIKey of N-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-6-yl)-4-fluorobenzenesulfonamide?
The InChIKey is UFCAJETWGSQSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O3S/c15-8-1-4-10(5-2-8)23(21,22)19-9-3-6-12-11(7-9)13(20)18-14(16)17-12/h1-2,4-5,9,19H,3,6-7H2,(H3,16,17,18,20).
What are the key properties of N-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-6-yl)-4-fluorobenzenesulfonamide?
N-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-6-yl)-4-fluorobenzenesulfonamide has a molecular weight of 338.36 g/mol, XLogP of 0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-6-yl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 135431306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).