N-[2-[5-[(2-methylsulfonylphenyl)sulfonylamino]-1H-indazol-3-yl]phenyl]acetamide

C44H40N8O10S4 — CID 161073993

IUPACN-[2-[5-[(2-methylsulfonylphenyl)sulfonylamino]-1H-indazol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1n[nH]c2ccc(NS(=O)(=O)c3ccccc3S(C)(=O)=O)cc12.CC(=O)Nc1ccccc1-c1n[nH]c2ccc(NS(=O)(=O)c3ccccc3S(C)(=O)=O)cc12
InChIInChI=1S/2C22H20N4O5S2/c2*1-14(27)23-18-8-4-3-7-16(18)22-17-13-15(11-12-19(17)24-25-22)26-33(30,31)21-10-6-5-9-20(21)32(2,28)29/h2*3-13,26H,1-2H3,(H,23,27)(H,24,25)
InChIKeyUFAGXNFJXCMBGJ-UHFFFAOYSA-N
MW969.12 g/mol
LogP6.79
Rot. Bonds12

About N-[2-[5-[(2-methylsulfonylphenyl)sulfonylamino]-1H-indazol-3-yl]phenyl]acetamide

N-[2-[5-[(2-methylsulfonylphenyl)sulfonylamino]-1H-indazol-3-yl]phenyl]acetamide (PubChem CID 161073993) has the molecular formula C44H40N8O10S4 and a molecular weight of 969.12 g/mol. Its IUPAC name is N-[2-[5-[(2-methylsulfonylphenyl)sulfonylamino]-1H-indazol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[5-[(2-methylsulfonylphenyl)sulfonylamino]-1H-indazol-3-yl]phenyl]acetamide
PubChem CID161073993
Molecular FormulaC44H40N8O10S4
Molecular Weight969.12 g/mol
Exact Mass968.18
IUPAC NameN-[2-[5-[(2-methylsulfonylphenyl)sulfonylamino]-1H-indazol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1n[nH]c2ccc(NS(=O)(=O)c3ccccc3S(C)(=O)=O)cc12.CC(=O)Nc1ccccc1-c1n[nH]c2ccc(NS(=O)(=O)c3ccccc3S(C)(=O)=O)cc12
InChIInChI=1S/2C22H20N4O5S2/c2*1-14(27)23-18-8-4-3-7-16(18)22-17-13-15(11-12-19(17)24-25-22)26-33(30,31)21-10-6-5-9-20(21)32(2,28)29/h2*3-13,26H,1-2H3,(H,23,27)(H,24,25)
InChIKeyUFAGXNFJXCMBGJ-UHFFFAOYSA-N
XLogP6.79
TPSA276.18 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms66
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500969.12
LogP ≤ 56.79
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Analyze N-[2-[5-[(2-methylsulfonylphenyl)sulfonylamino]-1H-indazol-3-yl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[4-(hydroxymethyl)phenyl]-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide
CID 22567135
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-(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-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide
CID 135444767
N-[3-(3-aminophenyl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide;N-[3-(4-aminophenyl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide
CID 157179308
N-[2-methoxy-4-[(2-methylsulfonylphenyl)sulfonylamino]phenyl]acetamide
CID 55901202
N-(2-methylsulfonylphenyl)-3-phenyl-1H-indazole-5-sulfonamide
CID 22567241
2-(1H-indazol-3-yl)-5-[(2-methylsulfonylphenyl)sulfamoyl]benzamide
CID 142669402
3-iodo-5-[(2-methylsulfonylphenyl)sulfonylamino]indazole-1-carboxylic acid
CID 68875328
N-[5-[[3-(3-fluorophenyl)-1H-indazol-5-yl]sulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 22260627

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(2-methylsulfonylphenyl)sulfonylamino]-1H-indazol-3-yl]phenyl]acetamide?
The IUPAC name of N-[2-[5-[(2-methylsulfonylphenyl)sulfonylamino]-1H-indazol-3-yl]phenyl]acetamide (CID 161073993) is N-[2-[5-[(2-methylsulfonylphenyl)sulfonylamino]-1H-indazol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[2-[5-[(2-methylsulfonylphenyl)sulfonylamino]-1H-indazol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[2-[5-[(2-methylsulfonylphenyl)sulfonylamino]-1H-indazol-3-yl]phenyl]acetamide is CC(=O)Nc1ccccc1-c1n[nH]c2ccc(NS(=O)(=O)c3ccccc3S(C)(=O)=O)cc12.CC(=O)Nc1ccccc1-c1n[nH]c2ccc(NS(=O)(=O)c3ccccc3S(C)(=O)=O)cc12.
What is the InChIKey of N-[2-[5-[(2-methylsulfonylphenyl)sulfonylamino]-1H-indazol-3-yl]phenyl]acetamide?
The InChIKey is UFAGXNFJXCMBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H20N4O5S2/c2*1-14(27)23-18-8-4-3-7-16(18)22-17-13-15(11-12-19(17)24-25-22)26-33(30,31)21-10-6-5-9-20(21)32(2,28)29/h2*3-13,26H,1-2H3,(H,23,27)(H,24,25).
What are the key properties of N-[2-[5-[(2-methylsulfonylphenyl)sulfonylamino]-1H-indazol-3-yl]phenyl]acetamide?
N-[2-[5-[(2-methylsulfonylphenyl)sulfonylamino]-1H-indazol-3-yl]phenyl]acetamide has a molecular weight of 969.12 g/mol, XLogP of 6.79, 12 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[(2-methylsulfonylphenyl)sulfonylamino]-1H-indazol-3-yl]phenyl]acetamide is sourced from PubChem (CID 161073993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).