3-amino-5-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)benzamide

C16H17N5O3S — CID 118760029

IUPAC3-amino-5-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)benzamide
SMILESCN(C)S(=O)(=O)c1cc(N)cc(C(=O)Nc2ccc3cn[nH]c3c2)c1
InChIInChI=1S/C16H17N5O3S/c1-21(2)25(23,24)14-6-11(5-12(17)7-14)16(22)19-13-4-3-10-9-18-20-15(10)8-13/h3-9H,17H2,1-2H3,(H,18,20)(H,19,22)
InChIKeyHCJRECLJZARCOE-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.65
Rot. Bonds4

About 3-amino-5-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)benzamide

3-amino-5-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)benzamide (PubChem CID 118760029) has the molecular formula C16H17N5O3S and a molecular weight of 359.41 g/mol. Its IUPAC name is 3-amino-5-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)benzamide.

Molecular Properties

Compound Name3-amino-5-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)benzamide
PubChem CID118760029
Molecular FormulaC16H17N5O3S
Molecular Weight359.41 g/mol
Exact Mass359.11
IUPAC Name3-amino-5-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)benzamide
SMILESCN(C)S(=O)(=O)c1cc(N)cc(C(=O)Nc2ccc3cn[nH]c3c2)c1
InChIInChI=1S/C16H17N5O3S/c1-21(2)25(23,24)14-6-11(5-12(17)7-14)16(22)19-13-4-3-10-9-18-20-15(10)8-13/h3-9H,17H2,1-2H3,(H,18,20)(H,19,22)
InChIKeyHCJRECLJZARCOE-UHFFFAOYSA-N
XLogP1.65
TPSA121.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)-5-[(5-methylthiophen-2-yl)methylamino]benzamide
CID 26139855
3-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)-5-(thiophen-3-ylmethylamino)benzamide
CID 26227458
N-(1H-indazol-6-yl)-3,5-dimethylbenzamide
CID 36560760
1-[3-(dimethylsulfamoyl)phenyl]-3-(1H-indazol-6-yl)thiourea
CID 4235162
methyl 4-(1H-indazol-6-ylcarbamoyl)benzoate
CID 121088219
2-amino-N-(1H-indazol-6-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55115347
N'-(4-aminobenzoyl)-N-(1H-indazol-6-yl)oxamide
CID 108530089
4-bromo-N-(1H-indazol-6-yl)-3-methylbenzamide
CID 115769574
6-bromo-N-(1H-indazol-6-yl)pyridine-3-carboxamide
CID 66464887
N-(1H-indazol-6-yl)-2H-benzotriazole-5-carboxamide
CID 36561248
2-(4-aminophenyl)-N-(1H-indazol-6-yl)acetamide
CID 43710788
3-fluoro-N-(1H-indazol-6-yl)-4-methoxybenzamide
CID 36561598

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)benzamide?
The IUPAC name of 3-amino-5-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)benzamide (CID 118760029) is 3-amino-5-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)benzamide.
What is the SMILES notation for 3-amino-5-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)benzamide?
The canonical SMILES for 3-amino-5-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)benzamide is CN(C)S(=O)(=O)c1cc(N)cc(C(=O)Nc2ccc3cn[nH]c3c2)c1.
What is the InChIKey of 3-amino-5-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)benzamide?
The InChIKey is HCJRECLJZARCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3S/c1-21(2)25(23,24)14-6-11(5-12(17)7-14)16(22)19-13-4-3-10-9-18-20-15(10)8-13/h3-9H,17H2,1-2H3,(H,18,20)(H,19,22).
What are the key properties of 3-amino-5-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)benzamide?
3-amino-5-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)benzamide has a molecular weight of 359.41 g/mol, XLogP of 1.65, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(dimethylsulfamoyl)-N-(1H-indazol-6-yl)benzamide is sourced from PubChem (CID 118760029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).