3-(benzenesulfonyl)-N-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-amine

C17H18N4O2S — CID 46867519

IUPAC3-(benzenesulfonyl)-N-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-amine
SMILESCNc1nn2cc3c(nc2c1S(=O)(=O)c1ccccc1)CCCC3
InChIInChI=1S/C17H18N4O2S/c1-18-16-15(24(22,23)13-8-3-2-4-9-13)17-19-14-10-6-5-7-12(14)11-21(17)20-16/h2-4,8-9,11H,5-7,10H2,1H3,(H,18,20)
InChIKeyWJRPDVXQPKIFPL-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.48
Rot. Bonds3

About 3-(benzenesulfonyl)-N-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-amine

3-(benzenesulfonyl)-N-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-amine (PubChem CID 46867519) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-amine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-amine
PubChem CID46867519
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name3-(benzenesulfonyl)-N-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-amine
SMILESCNc1nn2cc3c(nc2c1S(=O)(=O)c1ccccc1)CCCC3
InChIInChI=1S/C17H18N4O2S/c1-18-16-15(24(22,23)13-8-3-2-4-9-13)17-19-14-10-6-5-7-12(14)11-21(17)20-16/h2-4,8-9,11H,5-7,10H2,1H3,(H,18,20)
InChIKeyWJRPDVXQPKIFPL-UHFFFAOYSA-N
XLogP2.48
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-amine?
The IUPAC name of 3-(benzenesulfonyl)-N-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-amine (CID 46867519) is 3-(benzenesulfonyl)-N-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-amine.
What is the SMILES notation for 3-(benzenesulfonyl)-N-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-amine?
The canonical SMILES for 3-(benzenesulfonyl)-N-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-amine is CNc1nn2cc3c(nc2c1S(=O)(=O)c1ccccc1)CCCC3.
What is the InChIKey of 3-(benzenesulfonyl)-N-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-amine?
The InChIKey is WJRPDVXQPKIFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-18-16-15(24(22,23)13-8-3-2-4-9-13)17-19-14-10-6-5-7-12(14)11-21(17)20-16/h2-4,8-9,11H,5-7,10H2,1H3,(H,18,20).
What are the key properties of 3-(benzenesulfonyl)-N-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-amine?
3-(benzenesulfonyl)-N-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-amine has a molecular weight of 342.42 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-amine is sourced from PubChem (CID 46867519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).