2-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide

C17H19N3O3S — CID 172731736

IUPAC2-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide
SMILESCC(C)Cn1[nH]c(=O)c2cc(-c3ccccc3S(N)(=O)=O)ccc21
InChIInChI=1S/C17H19N3O3S/c1-11(2)10-20-15-8-7-12(9-14(15)17(21)19-20)13-5-3-4-6-16(13)24(18,22)23/h3-9,11H,10H2,1-2H3,(H,19,21)(H2,18,22,23)
InChIKeyHWSVHFWSMLHUCC-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.30
Rot. Bonds4

About 2-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide

2-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide (PubChem CID 172731736) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide
PubChem CID172731736
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name2-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide
SMILESCC(C)Cn1[nH]c(=O)c2cc(-c3ccccc3S(N)(=O)=O)ccc21
InChIInChI=1S/C17H19N3O3S/c1-11(2)10-20-15-8-7-12(9-14(15)17(21)19-20)13-5-3-4-6-16(13)24(18,22)23/h3-9,11H,10H2,1-2H3,(H,19,21)(H2,18,22,23)
InChIKeyHWSVHFWSMLHUCC-UHFFFAOYSA-N
XLogP2.30
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide?
The IUPAC name of 2-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide (CID 172731736) is 2-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 2-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide?
The canonical SMILES for 2-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide is CC(C)Cn1[nH]c(=O)c2cc(-c3ccccc3S(N)(=O)=O)ccc21.
What is the InChIKey of 2-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide?
The InChIKey is HWSVHFWSMLHUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-11(2)10-20-15-8-7-12(9-14(15)17(21)19-20)13-5-3-4-6-16(13)24(18,22)23/h3-9,11H,10H2,1-2H3,(H,19,21)(H2,18,22,23).
What are the key properties of 2-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide?
2-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide has a molecular weight of 345.42 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 172731736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).