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

C24H21N5O2S — CID 20878563

IUPACN-(3,4-dimethylphenyl)-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine
SMILESCc1ccc(S(=O)(=O)c2nnn3c2nc(Nc2ccc(C)c(C)c2)c2ccccc23)cc1
InChIInChI=1S/C24H21N5O2S/c1-15-8-12-19(13-9-15)32(30,31)24-23-26-22(25-18-11-10-16(2)17(3)14-18)20-6-4-5-7-21(20)29(23)28-27-24/h4-14H,1-3H3,(H,25,26)
InChIKeyRPTRVSLBVGDQGN-UHFFFAOYSA-N
MW443.53 g/mol
LogP4.78
Rot. Bonds4

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

N-(3,4-dimethylphenyl)-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine (PubChem CID 20878563) has the molecular formula C24H21N5O2S and a molecular weight of 443.53 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine
PubChem CID20878563
Molecular FormulaC24H21N5O2S
Molecular Weight443.53 g/mol
Exact Mass443.14
IUPAC NameN-(3,4-dimethylphenyl)-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine
SMILESCc1ccc(S(=O)(=O)c2nnn3c2nc(Nc2ccc(C)c(C)c2)c2ccccc23)cc1
InChIInChI=1S/C24H21N5O2S/c1-15-8-12-19(13-9-15)32(30,31)24-23-26-22(25-18-11-10-16(2)17(3)14-18)20-6-4-5-7-21(20)29(23)28-27-24/h4-14H,1-3H3,(H,25,26)
InChIKeyRPTRVSLBVGDQGN-UHFFFAOYSA-N
XLogP4.78
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethylphenyl)triazolo[1,5-a]quinazolin-5-amine
CID 2137387
N-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine
CID 16804498
3-(3,4-dimethylphenyl)sulfonyl-N-(4-ethoxyphenyl)triazolo[1,5-a]quinazolin-5-amine
CID 2138076
3-(3,4-dimethylphenyl)sulfonyl-N-[(4-methylphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine
CID 20878487
3-(4-methylphenyl)sulfonyl-N-propan-2-yltriazolo[1,5-a]quinazolin-5-amine
CID 7470701
N-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine
CID 18590254
3-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)triazolo[1,5-a]quinazolin-5-amine
CID 2137369
3-(benzenesulfonyl)-N-(4-ethylphenyl)triazolo[1,5-a]quinazolin-5-amine
CID 2137376
N-benzyl-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine
CID 20878453
3-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)triazolo[1,5-a]quinazolin-5-amine
CID 2137386
3-(4-methylphenyl)sulfonyl-N-[(1S)-1-phenylethyl]triazolo[1,5-a]quinazolin-5-amine
CID 51605746
3-(3,4-dimethylphenyl)sulfonyl-N-[(2-methylphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine
CID 71699747

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of N-(3,4-dimethylphenyl)-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine (CID 20878563) is N-(3,4-dimethylphenyl)-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine is Cc1ccc(S(=O)(=O)c2nnn3c2nc(Nc2ccc(C)c(C)c2)c2ccccc23)cc1.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine?
The InChIKey is RPTRVSLBVGDQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2S/c1-15-8-12-19(13-9-15)32(30,31)24-23-26-22(25-18-11-10-16(2)17(3)14-18)20-6-4-5-7-21(20)29(23)28-27-24/h4-14H,1-3H3,(H,25,26).
What are the key properties of N-(3,4-dimethylphenyl)-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine?
N-(3,4-dimethylphenyl)-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine has a molecular weight of 443.53 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 20878563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).