3-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)triazolo[1,5-a]quinazolin-5-amine

C23H18ClN5O2S — CID 16815532

IUPAC3-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)triazolo[1,5-a]quinazolin-5-amine
SMILESCC(Nc1nc2c(S(=O)(=O)c3ccc(Cl)cc3)nnn2c2ccccc12)c1ccccc1
InChIInChI=1S/C23H18ClN5O2S/c1-15(16-7-3-2-4-8-16)25-21-19-9-5-6-10-20(19)29-22(26-21)23(27-28-29)32(30,31)18-13-11-17(24)12-14-18/h2-15H,1H3,(H,25,26)
InChIKeyRMTXKUPRIMRWFU-UHFFFAOYSA-N
MW463.95 g/mol
LogP4.94
Rot. Bonds5

About 3-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)triazolo[1,5-a]quinazolin-5-amine

3-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)triazolo[1,5-a]quinazolin-5-amine (PubChem CID 16815532) has the molecular formula C23H18ClN5O2S and a molecular weight of 463.95 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)triazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)triazolo[1,5-a]quinazolin-5-amine
PubChem CID16815532
Molecular FormulaC23H18ClN5O2S
Molecular Weight463.95 g/mol
Exact Mass463.09
IUPAC Name3-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)triazolo[1,5-a]quinazolin-5-amine
SMILESCC(Nc1nc2c(S(=O)(=O)c3ccc(Cl)cc3)nnn2c2ccccc12)c1ccccc1
InChIInChI=1S/C23H18ClN5O2S/c1-15(16-7-3-2-4-8-16)25-21-19-9-5-6-10-20(19)29-22(26-21)23(27-28-29)32(30,31)18-13-11-17(24)12-14-18/h2-15H,1H3,(H,25,26)
InChIKeyRMTXKUPRIMRWFU-UHFFFAOYSA-N
XLogP4.94
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.95
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)triazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)triazolo[1,5-a]quinazolin-5-amine (CID 16815532) is 3-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)triazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)triazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)triazolo[1,5-a]quinazolin-5-amine is CC(Nc1nc2c(S(=O)(=O)c3ccc(Cl)cc3)nnn2c2ccccc12)c1ccccc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)triazolo[1,5-a]quinazolin-5-amine?
The InChIKey is RMTXKUPRIMRWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN5O2S/c1-15(16-7-3-2-4-8-16)25-21-19-9-5-6-10-20(19)29-22(26-21)23(27-28-29)32(30,31)18-13-11-17(24)12-14-18/h2-15H,1H3,(H,25,26).
What are the key properties of 3-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)triazolo[1,5-a]quinazolin-5-amine?
3-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)triazolo[1,5-a]quinazolin-5-amine has a molecular weight of 463.95 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-N-(1-phenylethyl)triazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 16815532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).