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

C23H18ClN5O3S — CID 16804498

IUPACN-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine
SMILESCOc1ccc(Nc2nc3c(S(=O)(=O)c4ccc(C)cc4)nnn3c3ccccc23)cc1Cl
InChIInChI=1S/C23H18ClN5O3S/c1-14-7-10-16(11-8-14)33(30,31)23-22-26-21(25-15-9-12-20(32-2)18(24)13-15)17-5-3-4-6-19(17)29(22)28-27-23/h3-13H,1-2H3,(H,25,26)
InChIKeyJMLPDTKXIYDOKB-UHFFFAOYSA-N
MW479.95 g/mol
LogP4.82
Rot. Bonds5

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

N-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine (PubChem CID 16804498) has the molecular formula C23H18ClN5O3S and a molecular weight of 479.95 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine
PubChem CID16804498
Molecular FormulaC23H18ClN5O3S
Molecular Weight479.95 g/mol
Exact Mass479.08
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine
SMILESCOc1ccc(Nc2nc3c(S(=O)(=O)c4ccc(C)cc4)nnn3c3ccccc23)cc1Cl
InChIInChI=1S/C23H18ClN5O3S/c1-14-7-10-16(11-8-14)33(30,31)23-22-26-21(25-15-9-12-20(32-2)18(24)13-15)17-5-3-4-6-19(17)29(22)28-27-23/h3-13H,1-2H3,(H,25,26)
InChIKeyJMLPDTKXIYDOKB-UHFFFAOYSA-N
XLogP4.82
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.95
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)triazolo[1,5-a]quinazolin-5-amine
CID 2137369
N-(3,4-dimethylphenyl)-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine
CID 20878563
N-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine
CID 18590254
3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethylphenyl)triazolo[1,5-a]quinazolin-5-amine
CID 2137387
3-(benzenesulfonyl)-N-(2-methoxyphenyl)triazolo[1,5-a]quinazolin-5-amine
CID 20878557
7-chloro-N-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine
CID 16956231
3-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)triazolo[1,5-a]quinazolin-5-amine
CID 2137386
3-(3,4-dimethylphenyl)sulfonyl-N-(4-ethoxyphenyl)triazolo[1,5-a]quinazolin-5-amine
CID 2138076
N-benzyl-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine
CID 20878453
3-(benzenesulfonyl)-N-(4-ethylphenyl)triazolo[1,5-a]quinazolin-5-amine
CID 2137376
3-(4-chlorophenyl)sulfonyl-N-(2,3-dimethylphenyl)triazolo[1,5-a]quinazolin-5-amine
CID 2137871
3-(3,4-dimethylphenyl)sulfonyl-N-[(4-methylphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine
CID 20878487

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine (CID 16804498) is N-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine is COc1ccc(Nc2nc3c(S(=O)(=O)c4ccc(C)cc4)nnn3c3ccccc23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine?
The InChIKey is JMLPDTKXIYDOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN5O3S/c1-14-7-10-16(11-8-14)33(30,31)23-22-26-21(25-15-9-12-20(32-2)18(24)13-15)17-5-3-4-6-19(17)29(22)28-27-23/h3-13H,1-2H3,(H,25,26).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine?
N-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine has a molecular weight of 479.95 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 16804498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).