N-[3-[4-(hydroxymethyl)phenyl]-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide

C21H19N3O5S2 — CID 22567135

IUPACN-[3-[4-(hydroxymethyl)phenyl]-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide
SMILESCS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc2[nH]nc(-c3ccc(CO)cc3)c2c1
InChIInChI=1S/C21H19N3O5S2/c1-30(26,27)19-4-2-3-5-20(19)31(28,29)24-16-10-11-18-17(12-16)21(23-22-18)15-8-6-14(13-25)7-9-15/h2-12,24-25H,13H2,1H3,(H,22,23)
InChIKeyLCBVNGRMXSDLHL-UHFFFAOYSA-N
MW457.53 g/mol
LogP2.93
Rot. Bonds6

About N-[3-[4-(hydroxymethyl)phenyl]-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide

N-[3-[4-(hydroxymethyl)phenyl]-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide (PubChem CID 22567135) has the molecular formula C21H19N3O5S2 and a molecular weight of 457.53 g/mol. Its IUPAC name is N-[3-[4-(hydroxymethyl)phenyl]-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(hydroxymethyl)phenyl]-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide
PubChem CID22567135
Molecular FormulaC21H19N3O5S2
Molecular Weight457.53 g/mol
Exact Mass457.08
IUPAC NameN-[3-[4-(hydroxymethyl)phenyl]-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide
SMILESCS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc2[nH]nc(-c3ccc(CO)cc3)c2c1
InChIInChI=1S/C21H19N3O5S2/c1-30(26,27)19-4-2-3-5-20(19)31(28,29)24-16-10-11-18-17(12-16)21(23-22-18)15-8-6-14(13-25)7-9-15/h2-12,24-25H,13H2,1H3,(H,22,23)
InChIKeyLCBVNGRMXSDLHL-UHFFFAOYSA-N
XLogP2.93
TPSA129.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(4-methoxyphenyl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide
CID 22567224
2-methylsulfonyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]benzenesulfonamide
CID 22567097
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-[2-[5-[(2-methylsulfonylphenyl)sulfonylamino]-1H-indazol-3-yl]phenyl]acetamide
CID 161073993
N-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide
CID 135444767
N-(2-methylsulfonylphenyl)-3-phenyl-1H-indazole-5-sulfonamide
CID 22567241
N-(4-ethylphenyl)-2-methylsulfonylbenzenesulfonamide
CID 86920060
[4-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-3-yl]phenyl]methanol
CID 59024180
2-phenyl-N-(3-phenyl-1H-indazol-5-yl)ethenesulfonamide
CID 67042615
2-methylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 55902750

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(hydroxymethyl)phenyl]-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-[3-[4-(hydroxymethyl)phenyl]-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide (CID 22567135) is N-[3-[4-(hydroxymethyl)phenyl]-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-[3-[4-(hydroxymethyl)phenyl]-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-[3-[4-(hydroxymethyl)phenyl]-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide is CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc2[nH]nc(-c3ccc(CO)cc3)c2c1.
What is the InChIKey of N-[3-[4-(hydroxymethyl)phenyl]-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide?
The InChIKey is LCBVNGRMXSDLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O5S2/c1-30(26,27)19-4-2-3-5-20(19)31(28,29)24-16-10-11-18-17(12-16)21(23-22-18)15-8-6-14(13-25)7-9-15/h2-12,24-25H,13H2,1H3,(H,22,23).
What are the key properties of N-[3-[4-(hydroxymethyl)phenyl]-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide?
N-[3-[4-(hydroxymethyl)phenyl]-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide has a molecular weight of 457.53 g/mol, XLogP of 2.93, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(hydroxymethyl)phenyl]-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 22567135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).