2-methylsulfonyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]benzenesulfonamide

C26H21N3O5S2 — CID 22567097

IUPAC2-methylsulfonyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]benzenesulfonamide
SMILESCS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc2[nH]nc(-c3ccc(Oc4ccccc4)cc3)c2c1
InChIInChI=1S/C26H21N3O5S2/c1-35(30,31)24-9-5-6-10-25(24)36(32,33)29-19-13-16-23-22(17-19)26(28-27-23)18-11-14-21(15-12-18)34-20-7-3-2-4-8-20/h2-17,29H,1H3,(H,27,28)
InChIKeyRDNBAGLXYHDJPZ-UHFFFAOYSA-N
MW519.60 g/mol
LogP5.23
Rot. Bonds7

About 2-methylsulfonyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]benzenesulfonamide

2-methylsulfonyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]benzenesulfonamide (PubChem CID 22567097) has the molecular formula C26H21N3O5S2 and a molecular weight of 519.60 g/mol. Its IUPAC name is 2-methylsulfonyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-methylsulfonyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]benzenesulfonamide
PubChem CID22567097
Molecular FormulaC26H21N3O5S2
Molecular Weight519.60 g/mol
Exact Mass519.09
IUPAC Name2-methylsulfonyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]benzenesulfonamide
SMILESCS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc2[nH]nc(-c3ccc(Oc4ccccc4)cc3)c2c1
InChIInChI=1S/C26H21N3O5S2/c1-35(30,31)24-9-5-6-10-25(24)36(32,33)29-19-13-16-23-22(17-19)26(28-27-23)18-11-14-21(15-12-18)34-20-7-3-2-4-8-20/h2-17,29H,1H3,(H,27,28)
InChIKeyRDNBAGLXYHDJPZ-UHFFFAOYSA-N
XLogP5.23
TPSA118.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.60
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(4-methoxyphenyl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide
CID 22567224
N-[3-[4-(hydroxymethyl)phenyl]-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide
CID 22567135
N-[3-(3-aminophenyl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide;N-[3-(4-aminophenyl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide
CID 157179308
N-[3-(3-amino-4-methylphenyl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide
CID 22567262
N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide
CID 22567379
N-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide
CID 135444767
N-[2-[5-[(2-methylsulfonylphenyl)sulfonylamino]-1H-indazol-3-yl]phenyl]acetamide
CID 161073993
3-hydroxy-3-methyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]butanamide
CID 22260818
N-(2-methylsulfonylphenyl)-3-phenyl-1H-indazole-5-sulfonamide
CID 22567241
4-(benzenesulfonyl)-N-[3-(4-methoxyphenyl)-1H-indazol-5-yl]thiophene-2-sulfonamide
CID 23589786
2-phenyl-N-(3-phenyl-1H-indazol-5-yl)ethenesulfonamide
CID 67042615
N-(3-phenyl-1H-indazol-5-yl)piperidine-4-sulfonamide
CID 22567034

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]benzenesulfonamide?
The IUPAC name of 2-methylsulfonyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]benzenesulfonamide (CID 22567097) is 2-methylsulfonyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 2-methylsulfonyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]benzenesulfonamide?
The canonical SMILES for 2-methylsulfonyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]benzenesulfonamide is CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc2[nH]nc(-c3ccc(Oc4ccccc4)cc3)c2c1.
What is the InChIKey of 2-methylsulfonyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]benzenesulfonamide?
The InChIKey is RDNBAGLXYHDJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O5S2/c1-35(30,31)24-9-5-6-10-25(24)36(32,33)29-19-13-16-23-22(17-19)26(28-27-23)18-11-14-21(15-12-18)34-20-7-3-2-4-8-20/h2-17,29H,1H3,(H,27,28).
What are the key properties of 2-methylsulfonyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]benzenesulfonamide?
2-methylsulfonyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]benzenesulfonamide has a molecular weight of 519.60 g/mol, XLogP of 5.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 22567097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).