N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]propane-1-sulfonamide

C17H24N4O2S — CID 72718492

IUPACN-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCn1nc(-c2ccncc2)c2c1CCCC2
InChIInChI=1S/C17H24N4O2S/c1-2-13-24(22,23)19-11-12-21-16-6-4-3-5-15(16)17(20-21)14-7-9-18-10-8-14/h7-10,19H,2-6,11-13H2,1H3
InChIKeyUDQOYDFHMGVYSL-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.15
Rot. Bonds7

About N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]propane-1-sulfonamide

N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]propane-1-sulfonamide (PubChem CID 72718492) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]propane-1-sulfonamide
PubChem CID72718492
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC NameN-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCn1nc(-c2ccncc2)c2c1CCCC2
InChIInChI=1S/C17H24N4O2S/c1-2-13-24(22,23)19-11-12-21-16-6-4-3-5-15(16)17(20-21)14-7-9-18-10-8-14/h7-10,19H,2-6,11-13H2,1H3
InChIKeyUDQOYDFHMGVYSL-UHFFFAOYSA-N
XLogP2.15
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]propane-1-sulfonamide (CID 72718492) is N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCn1nc(-c2ccncc2)c2c1CCCC2.
What is the InChIKey of N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]propane-1-sulfonamide?
The InChIKey is UDQOYDFHMGVYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-2-13-24(22,23)19-11-12-21-16-6-4-3-5-15(16)17(20-21)14-7-9-18-10-8-14/h7-10,19H,2-6,11-13H2,1H3.
What are the key properties of N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]propane-1-sulfonamide?
N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]propane-1-sulfonamide has a molecular weight of 348.47 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 72718492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).