N-(2-methoxyphenyl)-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine

C23H19N5O3S — CID 2150437

IUPACN-(2-methoxyphenyl)-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine
SMILESCOc1ccccc1Nc1nc2c(S(=O)(=O)c3ccc(C)cc3)nnn2c2ccccc12
InChIInChI=1S/C23H19N5O3S/c1-15-11-13-16(14-12-15)32(29,30)23-22-25-21(24-18-8-4-6-10-20(18)31-2)17-7-3-5-9-19(17)28(22)27-26-23/h3-14H,1-2H3,(H,24,25)
InChIKeyLSLJYAPPLJZWFZ-UHFFFAOYSA-N
MW445.50 g/mol
LogP4.17
Rot. Bonds5

About N-(2-methoxyphenyl)-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine

N-(2-methoxyphenyl)-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine (PubChem CID 2150437) has the molecular formula C23H19N5O3S and a molecular weight of 445.50 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine
PubChem CID2150437
Molecular FormulaC23H19N5O3S
Molecular Weight445.50 g/mol
Exact Mass445.12
IUPAC NameN-(2-methoxyphenyl)-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine
SMILESCOc1ccccc1Nc1nc2c(S(=O)(=O)c3ccc(C)cc3)nnn2c2ccccc12
InChIInChI=1S/C23H19N5O3S/c1-15-11-13-16(14-12-15)32(29,30)23-22-25-21(24-18-8-4-6-10-20(18)31-2)17-7-3-5-9-19(17)28(22)27-26-23/h3-14H,1-2H3,(H,24,25)
InChIKeyLSLJYAPPLJZWFZ-UHFFFAOYSA-N
XLogP4.17
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of N-(2-methoxyphenyl)-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine (CID 2150437) is N-(2-methoxyphenyl)-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for N-(2-methoxyphenyl)-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for N-(2-methoxyphenyl)-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine is COc1ccccc1Nc1nc2c(S(=O)(=O)c3ccc(C)cc3)nnn2c2ccccc12.
What is the InChIKey of N-(2-methoxyphenyl)-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine?
The InChIKey is LSLJYAPPLJZWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O3S/c1-15-11-13-16(14-12-15)32(29,30)23-22-25-21(24-18-8-4-6-10-20(18)31-2)17-7-3-5-9-19(17)28(22)27-26-23/h3-14H,1-2H3,(H,24,25).
What are the key properties of N-(2-methoxyphenyl)-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine?
N-(2-methoxyphenyl)-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine has a molecular weight of 445.50 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 2150437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).