N-(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C15H15N5O3S — CID 136537734

IUPACN-(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=c1[nH]cnc2[nH]nc(NS(=O)(=O)c3ccc4c(c3)CCCC4)c12
InChIInChI=1S/C15H15N5O3S/c21-15-12-13(16-8-17-15)18-19-14(12)20-24(22,23)11-6-5-9-3-1-2-4-10(9)7-11/h5-8H,1-4H2,(H3,16,17,18,19,20,21)
InChIKeyAKMITMBLLXBGKA-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.33
Rot. Bonds3

About N-(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 136537734) has the molecular formula C15H15N5O3S and a molecular weight of 345.38 g/mol. Its IUPAC name is N-(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID136537734
Molecular FormulaC15H15N5O3S
Molecular Weight345.38 g/mol
Exact Mass345.09
IUPAC NameN-(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=c1[nH]cnc2[nH]nc(NS(=O)(=O)c3ccc4c(c3)CCCC4)c12
InChIInChI=1S/C15H15N5O3S/c21-15-12-13(16-8-17-15)18-19-14(12)20-24(22,23)11-6-5-9-3-1-2-4-10(9)7-11/h5-8H,1-4H2,(H3,16,17,18,19,20,21)
InChIKeyAKMITMBLLXBGKA-UHFFFAOYSA-N
XLogP1.33
TPSA120.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-diethyl-N-(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-3-yl)benzenesulfonamide
CID 137179318
N-(4,5-dimethyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 115750894
N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110281086
3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)-1H-pyrazole-5-carboxamide
CID 167774919
N-(6-oxo-1H-pyridin-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110724962
N-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 39854348
N-(2-oxo-1,3-dihydroindol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 20933336
N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110281087
N-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 166374396
N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 127279830
N-(3-fluoro-2-pyridinyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 84598051
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 104818512

Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 136537734) is N-(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is O=c1[nH]cnc2[nH]nc(NS(=O)(=O)c3ccc4c(c3)CCCC4)c12.
What is the InChIKey of N-(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is AKMITMBLLXBGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3S/c21-15-12-13(16-8-17-15)18-19-14(12)20-24(22,23)11-6-5-9-3-1-2-4-10(9)7-11/h5-8H,1-4H2,(H3,16,17,18,19,20,21).
What are the key properties of N-(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 345.38 g/mol, XLogP of 1.33, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 136537734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).