N-(2-methylsulfonylphenyl)-3-phenyl-1H-indazole-5-sulfonamide

C20H17N3O4S2 — CID 22567241

IUPACN-(2-methylsulfonylphenyl)-3-phenyl-1H-indazole-5-sulfonamide
SMILESCS(=O)(=O)c1ccccc1NS(=O)(=O)c1ccc2[nH]nc(-c3ccccc3)c2c1
InChIInChI=1S/C20H17N3O4S2/c1-28(24,25)19-10-6-5-9-18(19)23-29(26,27)15-11-12-17-16(13-15)20(22-21-17)14-7-3-2-4-8-14/h2-13,23H,1H3,(H,21,22)
InChIKeyXFVXUBQDJQXBAE-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.43
Rot. Bonds5

About N-(2-methylsulfonylphenyl)-3-phenyl-1H-indazole-5-sulfonamide

N-(2-methylsulfonylphenyl)-3-phenyl-1H-indazole-5-sulfonamide (PubChem CID 22567241) has the molecular formula C20H17N3O4S2 and a molecular weight of 427.51 g/mol. Its IUPAC name is N-(2-methylsulfonylphenyl)-3-phenyl-1H-indazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-methylsulfonylphenyl)-3-phenyl-1H-indazole-5-sulfonamide
PubChem CID22567241
Molecular FormulaC20H17N3O4S2
Molecular Weight427.51 g/mol
Exact Mass427.07
IUPAC NameN-(2-methylsulfonylphenyl)-3-phenyl-1H-indazole-5-sulfonamide
SMILESCS(=O)(=O)c1ccccc1NS(=O)(=O)c1ccc2[nH]nc(-c3ccccc3)c2c1
InChIInChI=1S/C20H17N3O4S2/c1-28(24,25)19-10-6-5-9-18(19)23-29(26,27)15-11-12-17-16(13-15)20(22-21-17)14-7-3-2-4-8-14/h2-13,23H,1H3,(H,21,22)
InChIKeyXFVXUBQDJQXBAE-UHFFFAOYSA-N
XLogP3.43
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1H-indazol-3-yl)-5-[(2-methylsulfonylphenyl)sulfamoyl]benzamide
CID 142669402
N-(2-methylsulfonylphenyl)-3-oxo-1,2-dihydroindazole-5-sulfonamide
CID 22567207
2-methylsulfonyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]benzenesulfonamide
CID 22567097
N-[3-(4-methoxyphenyl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide
CID 22567224
N-[3-(3-aminophenyl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide;N-[3-(4-aminophenyl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide
CID 157179308
N-[3-[4-(hydroxymethyl)phenyl]-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide
CID 22567135
3-(4-methylsulfonylphenyl)-1H-indazole
CID 72895811
N-[2-[5-[(2-methylsulfonylphenyl)sulfonylamino]-1H-indazol-3-yl]phenyl]acetamide
CID 161073993
N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide
CID 22567379
N-[3-(3-amino-4-methylphenyl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide
CID 22567262
4-chloro-N-(2-methylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 14536176
N-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide
CID 135444767

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylphenyl)-3-phenyl-1H-indazole-5-sulfonamide?
The IUPAC name of N-(2-methylsulfonylphenyl)-3-phenyl-1H-indazole-5-sulfonamide (CID 22567241) is N-(2-methylsulfonylphenyl)-3-phenyl-1H-indazole-5-sulfonamide.
What is the SMILES notation for N-(2-methylsulfonylphenyl)-3-phenyl-1H-indazole-5-sulfonamide?
The canonical SMILES for N-(2-methylsulfonylphenyl)-3-phenyl-1H-indazole-5-sulfonamide is CS(=O)(=O)c1ccccc1NS(=O)(=O)c1ccc2[nH]nc(-c3ccccc3)c2c1.
What is the InChIKey of N-(2-methylsulfonylphenyl)-3-phenyl-1H-indazole-5-sulfonamide?
The InChIKey is XFVXUBQDJQXBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4S2/c1-28(24,25)19-10-6-5-9-18(19)23-29(26,27)15-11-12-17-16(13-15)20(22-21-17)14-7-3-2-4-8-14/h2-13,23H,1H3,(H,21,22).
What are the key properties of N-(2-methylsulfonylphenyl)-3-phenyl-1H-indazole-5-sulfonamide?
N-(2-methylsulfonylphenyl)-3-phenyl-1H-indazole-5-sulfonamide has a molecular weight of 427.51 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylphenyl)-3-phenyl-1H-indazole-5-sulfonamide is sourced from PubChem (CID 22567241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).