3,4-diethyl-N-(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-3-yl)benzenesulfonamide

C15H17N5O3S — CID 137179318

IUPAC3,4-diethyl-N-(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-3-yl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2n[nH]c3nc[nH]c(=O)c23)cc1CC
InChIInChI=1S/C15H17N5O3S/c1-3-9-5-6-11(7-10(9)4-2)24(22,23)20-14-12-13(18-19-14)16-8-17-15(12)21/h5-8H,3-4H2,1-2H3,(H3,16,17,18,19,20,21)
InChIKeyHBUQZTBTCIDTMN-UHFFFAOYSA-N
MW347.40 g/mol
LogP1.57
Rot. Bonds5

About 3,4-diethyl-N-(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-3-yl)benzenesulfonamide

3,4-diethyl-N-(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-3-yl)benzenesulfonamide (PubChem CID 137179318) has the molecular formula C15H17N5O3S and a molecular weight of 347.40 g/mol. Its IUPAC name is 3,4-diethyl-N-(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-diethyl-N-(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-3-yl)benzenesulfonamide
PubChem CID137179318
Molecular FormulaC15H17N5O3S
Molecular Weight347.40 g/mol
Exact Mass347.11
IUPAC Name3,4-diethyl-N-(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-3-yl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2n[nH]c3nc[nH]c(=O)c23)cc1CC
InChIInChI=1S/C15H17N5O3S/c1-3-9-5-6-11(7-10(9)4-2)24(22,23)20-14-12-13(18-19-14)16-8-17-15(12)21/h5-8H,3-4H2,1-2H3,(H3,16,17,18,19,20,21)
InChIKeyHBUQZTBTCIDTMN-UHFFFAOYSA-N
XLogP1.57
TPSA120.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-N-(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-3-yl)benzenesulfonamide?
The IUPAC name of 3,4-diethyl-N-(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-3-yl)benzenesulfonamide (CID 137179318) is 3,4-diethyl-N-(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-diethyl-N-(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-3-yl)benzenesulfonamide?
The canonical SMILES for 3,4-diethyl-N-(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-3-yl)benzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2n[nH]c3nc[nH]c(=O)c23)cc1CC.
What is the InChIKey of 3,4-diethyl-N-(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-3-yl)benzenesulfonamide?
The InChIKey is HBUQZTBTCIDTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3S/c1-3-9-5-6-11(7-10(9)4-2)24(22,23)20-14-12-13(18-19-14)16-8-17-15(12)21/h5-8H,3-4H2,1-2H3,(H3,16,17,18,19,20,21).
What are the key properties of 3,4-diethyl-N-(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-3-yl)benzenesulfonamide?
3,4-diethyl-N-(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-3-yl)benzenesulfonamide has a molecular weight of 347.40 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-N-(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 137179318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).