N-[5-[(3,4-dichlorophenyl)sulfamoyl]-1H-indazol-3-yl]benzamide

C20H14Cl2N4O3S — CID 22567162

IUPACN-[5-[(3,4-dichlorophenyl)sulfamoyl]-1H-indazol-3-yl]benzamide
SMILESO=C(Nc1n[nH]c2ccc(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)cc12)c1ccccc1
InChIInChI=1S/C20H14Cl2N4O3S/c21-16-8-6-13(10-17(16)22)26-30(28,29)14-7-9-18-15(11-14)19(25-24-18)23-20(27)12-4-2-1-3-5-12/h1-11,26H,(H2,23,24,25,27)
InChIKeyXBWHMYWCWPRDEL-UHFFFAOYSA-N
MW461.33 g/mol
LogP4.92
Rot. Bonds5

About N-[5-[(3,4-dichlorophenyl)sulfamoyl]-1H-indazol-3-yl]benzamide

N-[5-[(3,4-dichlorophenyl)sulfamoyl]-1H-indazol-3-yl]benzamide (PubChem CID 22567162) has the molecular formula C20H14Cl2N4O3S and a molecular weight of 461.33 g/mol. Its IUPAC name is N-[5-[(3,4-dichlorophenyl)sulfamoyl]-1H-indazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[5-[(3,4-dichlorophenyl)sulfamoyl]-1H-indazol-3-yl]benzamide
PubChem CID22567162
Molecular FormulaC20H14Cl2N4O3S
Molecular Weight461.33 g/mol
Exact Mass460.02
IUPAC NameN-[5-[(3,4-dichlorophenyl)sulfamoyl]-1H-indazol-3-yl]benzamide
SMILESO=C(Nc1n[nH]c2ccc(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)cc12)c1ccccc1
InChIInChI=1S/C20H14Cl2N4O3S/c21-16-8-6-13(10-17(16)22)26-30(28,29)14-7-9-18-15(11-14)19(25-24-18)23-20(27)12-4-2-1-3-5-12/h1-11,26H,(H2,23,24,25,27)
InChIKeyXBWHMYWCWPRDEL-UHFFFAOYSA-N
XLogP4.92
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.33
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dichlorophenyl) 3-benzamido-1H-indazole-5-sulfonate
CID 22567407
N-(5-hydroxy-1H-indazol-3-yl)benzamide
CID 45086916
3-benzamido-1H-indazole-5-carboxylic acid
CID 129093990
3-[(3,4-dichlorophenyl)sulfonylamino]-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 24635607
1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-phenylurea
CID 4171462
4-chloro-N-(1H-indazol-3-yl)benzamide
CID 12913046
N-(3,4-dichlorophenyl)-3-methyl-2H-indazole-5-sulfonamide
CID 22567293
N-[4-[(6-chloro-5-phenyl-1H-indazol-3-yl)sulfamoyl]phenyl]acetamide
CID 10478461
N-(2-benzamidoethyl)-3-[(3,4-dichlorophenyl)sulfonylamino]benzamide
CID 24659997
3-[(3,4-dichlorophenyl)sulfonylamino]benzoic acid
CID 2234493
3-benzamido-N-(3-hydroxyphenyl)-1H-indazole-5-carboxamide
CID 142752240
N-(3,4-dichlorophenyl)-3-(hydrazinecarbonyl)benzenesulfonamide
CID 100657146

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,4-dichlorophenyl)sulfamoyl]-1H-indazol-3-yl]benzamide?
The IUPAC name of N-[5-[(3,4-dichlorophenyl)sulfamoyl]-1H-indazol-3-yl]benzamide (CID 22567162) is N-[5-[(3,4-dichlorophenyl)sulfamoyl]-1H-indazol-3-yl]benzamide.
What is the SMILES notation for N-[5-[(3,4-dichlorophenyl)sulfamoyl]-1H-indazol-3-yl]benzamide?
The canonical SMILES for N-[5-[(3,4-dichlorophenyl)sulfamoyl]-1H-indazol-3-yl]benzamide is O=C(Nc1n[nH]c2ccc(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)cc12)c1ccccc1.
What is the InChIKey of N-[5-[(3,4-dichlorophenyl)sulfamoyl]-1H-indazol-3-yl]benzamide?
The InChIKey is XBWHMYWCWPRDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N4O3S/c21-16-8-6-13(10-17(16)22)26-30(28,29)14-7-9-18-15(11-14)19(25-24-18)23-20(27)12-4-2-1-3-5-12/h1-11,26H,(H2,23,24,25,27).
What are the key properties of N-[5-[(3,4-dichlorophenyl)sulfamoyl]-1H-indazol-3-yl]benzamide?
N-[5-[(3,4-dichlorophenyl)sulfamoyl]-1H-indazol-3-yl]benzamide has a molecular weight of 461.33 g/mol, XLogP of 4.92, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3,4-dichlorophenyl)sulfamoyl]-1H-indazol-3-yl]benzamide is sourced from PubChem (CID 22567162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).