N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide

C18H15N3O5S2 — CID 22567379

IUPACN-[3-(furan-3-yl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide
SMILESCS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1
InChIInChI=1S/C18H15N3O5S2/c1-27(22,23)16-4-2-3-5-17(16)28(24,25)21-13-6-7-15-14(10-13)18(20-19-15)12-8-9-26-11-12/h2-11,21H,1H3,(H,19,20)
InChIKeyIKKQTWNLZGTAEZ-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.03
Rot. Bonds5

About N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide

N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide (PubChem CID 22567379) has the molecular formula C18H15N3O5S2 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(furan-3-yl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide
PubChem CID22567379
Molecular FormulaC18H15N3O5S2
Molecular Weight417.47 g/mol
Exact Mass417.05
IUPAC NameN-[3-(furan-3-yl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide
SMILESCS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1
InChIInChI=1S/C18H15N3O5S2/c1-27(22,23)16-4-2-3-5-17(16)28(24,25)21-13-6-7-15-14(10-13)18(20-19-15)12-8-9-26-11-12/h2-11,21H,1H3,(H,19,20)
InChIKeyIKKQTWNLZGTAEZ-UHFFFAOYSA-N
XLogP3.03
TPSA122.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide (CID 22567379) is N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide is CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1.
What is the InChIKey of N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide?
The InChIKey is IKKQTWNLZGTAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O5S2/c1-27(22,23)16-4-2-3-5-17(16)28(24,25)21-13-6-7-15-14(10-13)18(20-19-15)12-8-9-26-11-12/h2-11,21H,1H3,(H,19,20).
What are the key properties of N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide?
N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide has a molecular weight of 417.47 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 22567379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).