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

C24H21N5O2S — CID 18559153

IUPAC3-(benzenesulfonyl)-N-(2-phenylpropyl)triazolo[1,5-a]quinazolin-5-amine
SMILESCC(CNc1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccccc12)c1ccccc1
InChIInChI=1S/C24H21N5O2S/c1-17(18-10-4-2-5-11-18)16-25-22-20-14-8-9-15-21(20)29-23(26-22)24(27-28-29)32(30,31)19-12-6-3-7-13-19/h2-15,17H,16H2,1H3,(H,25,26)
InChIKeyHNRZELNZJKMMDV-UHFFFAOYSA-N
MW443.53 g/mol
LogP4.33
Rot. Bonds6

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

3-(benzenesulfonyl)-N-(2-phenylpropyl)triazolo[1,5-a]quinazolin-5-amine (PubChem CID 18559153) has the molecular formula C24H21N5O2S and a molecular weight of 443.53 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(2-phenylpropyl)triazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(2-phenylpropyl)triazolo[1,5-a]quinazolin-5-amine
PubChem CID18559153
Molecular FormulaC24H21N5O2S
Molecular Weight443.53 g/mol
Exact Mass443.14
IUPAC Name3-(benzenesulfonyl)-N-(2-phenylpropyl)triazolo[1,5-a]quinazolin-5-amine
SMILESCC(CNc1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccccc12)c1ccccc1
InChIInChI=1S/C24H21N5O2S/c1-17(18-10-4-2-5-11-18)16-25-22-20-14-8-9-15-21(20)29-23(26-22)24(27-28-29)32(30,31)19-12-6-3-7-13-19/h2-15,17H,16H2,1H3,(H,25,26)
InChIKeyHNRZELNZJKMMDV-UHFFFAOYSA-N
XLogP4.33
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(benzenesulfonyl)-N-(2-methoxyethyl)triazolo[1,5-a]quinazolin-5-amine
CID 20878438
3-(4-methylphenyl)sulfonyl-N-[(1S)-1-phenylethyl]triazolo[1,5-a]quinazolin-5-amine
CID 51605746
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
N-benzyl-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine
CID 20878453
3-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine
CID 2135166
3-(benzenesulfonyl)-N-cyclopropyltriazolo[1,5-a]quinazolin-5-amine
CID 134790991
3-(benzenesulfonyl)-N-(4-ethylphenyl)triazolo[1,5-a]quinazolin-5-amine
CID 2137376
3-(benzenesulfonyl)-N-(2-methoxyphenyl)triazolo[1,5-a]quinazolin-5-amine
CID 20878557
3-(benzenesulfonyl)-N-[(3-ethoxyphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine
CID 51365891
3-(benzenesulfonyl)triazolo[1,5-a]quinazolin-5-amine
CID 162236162
3-(4-bromophenyl)sulfonyl-N-(4-phenylbutan-2-yl)triazolo[1,5-a]quinazolin-5-amine
CID 18590261

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(2-phenylpropyl)triazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of 3-(benzenesulfonyl)-N-(2-phenylpropyl)triazolo[1,5-a]quinazolin-5-amine (CID 18559153) is 3-(benzenesulfonyl)-N-(2-phenylpropyl)triazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(2-phenylpropyl)triazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for 3-(benzenesulfonyl)-N-(2-phenylpropyl)triazolo[1,5-a]quinazolin-5-amine is CC(CNc1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccccc12)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-N-(2-phenylpropyl)triazolo[1,5-a]quinazolin-5-amine?
The InChIKey is HNRZELNZJKMMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2S/c1-17(18-10-4-2-5-11-18)16-25-22-20-14-8-9-15-21(20)29-23(26-22)24(27-28-29)32(30,31)19-12-6-3-7-13-19/h2-15,17H,16H2,1H3,(H,25,26).
What are the key properties of 3-(benzenesulfonyl)-N-(2-phenylpropyl)triazolo[1,5-a]quinazolin-5-amine?
3-(benzenesulfonyl)-N-(2-phenylpropyl)triazolo[1,5-a]quinazolin-5-amine has a molecular weight of 443.53 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(2-phenylpropyl)triazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 18559153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).