2-(3-oxo-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-5-yl)benzenesulfonamide

C18H18N4O3S — CID 175876876

IUPAC2-(3-oxo-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1C1CCc2[nH]n(-c3ccccn3)c(=O)c2C1
InChIInChI=1S/C18H18N4O3S/c19-26(24,25)16-6-2-1-5-13(16)12-8-9-15-14(11-12)18(23)22(21-15)17-7-3-4-10-20-17/h1-7,10,12,21H,8-9,11H2,(H2,19,24,25)
InChIKeyKNSJPZQUVSFFSK-UHFFFAOYSA-N
MW370.43 g/mol
LogP1.48
Rot. Bonds3

About 2-(3-oxo-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-5-yl)benzenesulfonamide

2-(3-oxo-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-5-yl)benzenesulfonamide (PubChem CID 175876876) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-(3-oxo-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(3-oxo-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-5-yl)benzenesulfonamide
PubChem CID175876876
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name2-(3-oxo-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1C1CCc2[nH]n(-c3ccccn3)c(=O)c2C1
InChIInChI=1S/C18H18N4O3S/c19-26(24,25)16-6-2-1-5-13(16)12-8-9-15-14(11-12)18(23)22(21-15)17-7-3-4-10-20-17/h1-7,10,12,21H,8-9,11H2,(H2,19,24,25)
InChIKeyKNSJPZQUVSFFSK-UHFFFAOYSA-N
XLogP1.48
TPSA110.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-5-yl)benzenesulfonamide?
The IUPAC name of 2-(3-oxo-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-5-yl)benzenesulfonamide (CID 175876876) is 2-(3-oxo-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-(3-oxo-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2-(3-oxo-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-5-yl)benzenesulfonamide is NS(=O)(=O)c1ccccc1C1CCc2[nH]n(-c3ccccn3)c(=O)c2C1.
What is the InChIKey of 2-(3-oxo-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-5-yl)benzenesulfonamide?
The InChIKey is KNSJPZQUVSFFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c19-26(24,25)16-6-2-1-5-13(16)12-8-9-15-14(11-12)18(23)22(21-15)17-7-3-4-10-20-17/h1-7,10,12,21H,8-9,11H2,(H2,19,24,25).
What are the key properties of 2-(3-oxo-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-5-yl)benzenesulfonamide?
2-(3-oxo-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-5-yl)benzenesulfonamide has a molecular weight of 370.43 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-2-pyridin-2-yl-4,5,6,7-tetrahydro-1H-indazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 175876876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).