2-(1H-indazol-3-yl)-5-[(2-methylsulfonylphenyl)sulfamoyl]benzamide

C21H18N4O5S2 — CID 142669402

IUPAC2-(1H-indazol-3-yl)-5-[(2-methylsulfonylphenyl)sulfamoyl]benzamide
SMILESCS(=O)(=O)c1ccccc1NS(=O)(=O)c1ccc(-c2n[nH]c3ccccc23)c(C(N)=O)c1
InChIInChI=1S/C21H18N4O5S2/c1-31(27,28)19-9-5-4-8-18(19)25-32(29,30)13-10-11-14(16(12-13)21(22)26)20-15-6-2-3-7-17(15)23-24-20/h2-12,25H,1H3,(H2,22,26)(H,23,24)
InChIKeyKQMSWZVTFIHCBC-UHFFFAOYSA-N
MW470.53 g/mol
LogP2.53
Rot. Bonds6

About 2-(1H-indazol-3-yl)-5-[(2-methylsulfonylphenyl)sulfamoyl]benzamide

2-(1H-indazol-3-yl)-5-[(2-methylsulfonylphenyl)sulfamoyl]benzamide (PubChem CID 142669402) has the molecular formula C21H18N4O5S2 and a molecular weight of 470.53 g/mol. Its IUPAC name is 2-(1H-indazol-3-yl)-5-[(2-methylsulfonylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name2-(1H-indazol-3-yl)-5-[(2-methylsulfonylphenyl)sulfamoyl]benzamide
PubChem CID142669402
Molecular FormulaC21H18N4O5S2
Molecular Weight470.53 g/mol
Exact Mass470.07
IUPAC Name2-(1H-indazol-3-yl)-5-[(2-methylsulfonylphenyl)sulfamoyl]benzamide
SMILESCS(=O)(=O)c1ccccc1NS(=O)(=O)c1ccc(-c2n[nH]c3ccccc23)c(C(N)=O)c1
InChIInChI=1S/C21H18N4O5S2/c1-31(27,28)19-9-5-4-8-18(19)25-32(29,30)13-10-11-14(16(12-13)21(22)26)20-15-6-2-3-7-17(15)23-24-20/h2-12,25H,1H3,(H2,22,26)(H,23,24)
InChIKeyKQMSWZVTFIHCBC-UHFFFAOYSA-N
XLogP2.53
TPSA152.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylsulfonylphenyl)-3-phenyl-1H-indazole-5-sulfonamide
CID 22567241
N-(2-methylsulfonylphenyl)-3-oxo-1,2-dihydroindazole-5-sulfonamide
CID 22567207
N-[2-[5-[(2-methylsulfonylphenyl)sulfonylamino]-1H-indazol-3-yl]phenyl]acetamide
CID 161073993
3-(4-methylsulfonylphenyl)-1H-indazole
CID 72895811
2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzamide
CID 63820783
2-methyl-5-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]sulfamoyl]benzamide
CID 60532014
2-methyl-5-(phenylsulfamoyl)benzamide
CID 870864
4-(1H-indazol-4-ylsulfamoyl)benzamide
CID 60524919
2-methyl-3-[(4-methyl-3-nitrophenyl)sulfonylamino]benzamide
CID 39846212
2-chloro-N-[3-(1H-indazol-3-yl)phenyl]-4-methylsulfonylbenzamide
CID 50914465
4-chloro-N-(2-methylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 14536176
N-[3-(3-amino-4-methylphenyl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide
CID 22567262

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-3-yl)-5-[(2-methylsulfonylphenyl)sulfamoyl]benzamide?
The IUPAC name of 2-(1H-indazol-3-yl)-5-[(2-methylsulfonylphenyl)sulfamoyl]benzamide (CID 142669402) is 2-(1H-indazol-3-yl)-5-[(2-methylsulfonylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for 2-(1H-indazol-3-yl)-5-[(2-methylsulfonylphenyl)sulfamoyl]benzamide?
The canonical SMILES for 2-(1H-indazol-3-yl)-5-[(2-methylsulfonylphenyl)sulfamoyl]benzamide is CS(=O)(=O)c1ccccc1NS(=O)(=O)c1ccc(-c2n[nH]c3ccccc23)c(C(N)=O)c1.
What is the InChIKey of 2-(1H-indazol-3-yl)-5-[(2-methylsulfonylphenyl)sulfamoyl]benzamide?
The InChIKey is KQMSWZVTFIHCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O5S2/c1-31(27,28)19-9-5-4-8-18(19)25-32(29,30)13-10-11-14(16(12-13)21(22)26)20-15-6-2-3-7-17(15)23-24-20/h2-12,25H,1H3,(H2,22,26)(H,23,24).
What are the key properties of 2-(1H-indazol-3-yl)-5-[(2-methylsulfonylphenyl)sulfamoyl]benzamide?
2-(1H-indazol-3-yl)-5-[(2-methylsulfonylphenyl)sulfamoyl]benzamide has a molecular weight of 470.53 g/mol, XLogP of 2.53, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-3-yl)-5-[(2-methylsulfonylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 142669402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).