3-(benzenesulfonyl)-N-(2-methoxyphenyl)triazolo[1,5-a]quinazolin-5-amine

C22H17N5O3S — CID 20878557

IUPAC3-(benzenesulfonyl)-N-(2-methoxyphenyl)triazolo[1,5-a]quinazolin-5-amine
SMILESCOc1ccccc1Nc1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccccc12
InChIInChI=1S/C22H17N5O3S/c1-30-19-14-8-6-12-17(19)23-20-16-11-5-7-13-18(16)27-21(24-20)22(25-26-27)31(28,29)15-9-3-2-4-10-15/h2-14H,1H3,(H,23,24)
InChIKeyCBDCSRZXFALRBO-UHFFFAOYSA-N
MW431.48 g/mol
LogP3.86
Rot. Bonds5

About 3-(benzenesulfonyl)-N-(2-methoxyphenyl)triazolo[1,5-a]quinazolin-5-amine

3-(benzenesulfonyl)-N-(2-methoxyphenyl)triazolo[1,5-a]quinazolin-5-amine (PubChem CID 20878557) has the molecular formula C22H17N5O3S and a molecular weight of 431.48 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(2-methoxyphenyl)triazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(2-methoxyphenyl)triazolo[1,5-a]quinazolin-5-amine
PubChem CID20878557
Molecular FormulaC22H17N5O3S
Molecular Weight431.48 g/mol
Exact Mass431.11
IUPAC Name3-(benzenesulfonyl)-N-(2-methoxyphenyl)triazolo[1,5-a]quinazolin-5-amine
SMILESCOc1ccccc1Nc1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccccc12
InChIInChI=1S/C22H17N5O3S/c1-30-19-14-8-6-12-17(19)23-20-16-11-5-7-13-18(16)27-21(24-20)22(25-26-27)31(28,29)15-9-3-2-4-10-15/h2-14H,1H3,(H,23,24)
InChIKeyCBDCSRZXFALRBO-UHFFFAOYSA-N
XLogP3.86
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.48
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine
CID 18590254
3-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine
CID 2135166
3-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)triazolo[1,5-a]quinazolin-5-amine
CID 2137369
N-(2-ethoxyphenyl)-3-(4-propan-2-ylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine
CID 18559717
3-(benzenesulfonyl)-N-(2-methoxyethyl)triazolo[1,5-a]quinazolin-5-amine
CID 20878438
N-(2-methoxyphenyl)-10-(4-methylphenyl)sulfonyl-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-7-amine
CID 18560194
3-(benzenesulfonyl)-N-(4-ethylphenyl)triazolo[1,5-a]quinazolin-5-amine
CID 2137376
N-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine
CID 16804498
3-(benzenesulfonyl)-N-cyclopropyltriazolo[1,5-a]quinazolin-5-amine
CID 134790991
3-(benzenesulfonyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]triazolo[1,5-a]quinazolin-5-amine
CID 95183236
3-(benzenesulfonyl)-N-[1-(4-fluorophenyl)ethyl]triazolo[1,5-a]quinazolin-5-amine
CID 51365909
3-(4-chlorophenyl)sulfonyl-N-(2,3-dimethylphenyl)triazolo[1,5-a]quinazolin-5-amine
CID 2137871

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(2-methoxyphenyl)triazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of 3-(benzenesulfonyl)-N-(2-methoxyphenyl)triazolo[1,5-a]quinazolin-5-amine (CID 20878557) is 3-(benzenesulfonyl)-N-(2-methoxyphenyl)triazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(2-methoxyphenyl)triazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for 3-(benzenesulfonyl)-N-(2-methoxyphenyl)triazolo[1,5-a]quinazolin-5-amine is COc1ccccc1Nc1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccccc12.
What is the InChIKey of 3-(benzenesulfonyl)-N-(2-methoxyphenyl)triazolo[1,5-a]quinazolin-5-amine?
The InChIKey is CBDCSRZXFALRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O3S/c1-30-19-14-8-6-12-17(19)23-20-16-11-5-7-13-18(16)27-21(24-20)22(25-26-27)31(28,29)15-9-3-2-4-10-15/h2-14H,1H3,(H,23,24).
What are the key properties of 3-(benzenesulfonyl)-N-(2-methoxyphenyl)triazolo[1,5-a]quinazolin-5-amine?
3-(benzenesulfonyl)-N-(2-methoxyphenyl)triazolo[1,5-a]quinazolin-5-amine has a molecular weight of 431.48 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(2-methoxyphenyl)triazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 20878557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).