N-[3-(dimethylsulfamoyl)phenyl]-2-(6-nitroindazol-1-yl)acetamide

C17H17N5O5S — CID 18151447

IUPACN-[3-(dimethylsulfamoyl)phenyl]-2-(6-nitroindazol-1-yl)acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)c1
InChIInChI=1S/C17H17N5O5S/c1-20(2)28(26,27)15-5-3-4-13(8-15)19-17(23)11-21-16-9-14(22(24)25)7-6-12(16)10-18-21/h3-10H,11H2,1-2H3,(H,19,23)
InChIKeyFJIRNKZLSKDYJM-UHFFFAOYSA-N
MW403.42 g/mol
LogP1.83
Rot. Bonds6

About N-[3-(dimethylsulfamoyl)phenyl]-2-(6-nitroindazol-1-yl)acetamide

N-[3-(dimethylsulfamoyl)phenyl]-2-(6-nitroindazol-1-yl)acetamide (PubChem CID 18151447) has the molecular formula C17H17N5O5S and a molecular weight of 403.42 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)phenyl]-2-(6-nitroindazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)phenyl]-2-(6-nitroindazol-1-yl)acetamide
PubChem CID18151447
Molecular FormulaC17H17N5O5S
Molecular Weight403.42 g/mol
Exact Mass403.10
IUPAC NameN-[3-(dimethylsulfamoyl)phenyl]-2-(6-nitroindazol-1-yl)acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)c1
InChIInChI=1S/C17H17N5O5S/c1-20(2)28(26,27)15-5-3-4-13(8-15)19-17(23)11-21-16-9-14(22(24)25)7-6-12(16)10-18-21/h3-10H,11H2,1-2H3,(H,19,23)
InChIKeyFJIRNKZLSKDYJM-UHFFFAOYSA-N
XLogP1.83
TPSA127.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[3-(dimethylsulfamoyl)phenyl]-2-(6-nitroindazol-1-yl)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

2,2,2-trifluoro-N-[3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridin-5-yl]acetamide
CID 136117383
2,2,2-trifluoro-N-(3-((2-methyl-2-(2-methyl-5-nitrophenylsulfonyl)hydrazono)methyl)pyrazolo[1,5-a]pyridin-5-yl)acetamide
CID 136346366
3-[(1-Methylindazol-4-yl)amino]benzenesulfonamide
CID 101787712
N-(2,4-difluorophenyl)-2-(6-nitroindazol-1-yl)acetamide
CID 18134577
N-(3-fluoro-4-methylphenyl)-2-(6-nitroindazol-1-yl)acetamide
CID 18134596
N-(3,4-difluorophenyl)-2-(6-nitroindazol-1-yl)acetamide
CID 18151443
N-(2,6-difluorophenyl)-2-(6-nitroindazol-1-yl)acetamide
CID 18151446
2-(6-nitroindazol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 18151452
N-[2-(4-fluorophenyl)ethyl]-2-(6-nitroindazol-1-yl)acetamide
CID 18151463
N-(3-fluorophenyl)-2-(6-nitroindazol-1-yl)acetamide
CID 18151466
N-(5-fluoro-2-methylphenyl)-2-(6-nitroindazol-1-yl)acetamide
CID 18151468
N-(2-fluoro-4-methylphenyl)-2-(6-nitroindazol-1-yl)acetamide
CID 18151520

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-2-(6-nitroindazol-1-yl)acetamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-2-(6-nitroindazol-1-yl)acetamide (CID 18151447) is N-[3-(dimethylsulfamoyl)phenyl]-2-(6-nitroindazol-1-yl)acetamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)phenyl]-2-(6-nitroindazol-1-yl)acetamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)phenyl]-2-(6-nitroindazol-1-yl)acetamide is CN(C)S(=O)(=O)c1cccc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)c1.
What is the InChIKey of N-[3-(dimethylsulfamoyl)phenyl]-2-(6-nitroindazol-1-yl)acetamide?
The InChIKey is FJIRNKZLSKDYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O5S/c1-20(2)28(26,27)15-5-3-4-13(8-15)19-17(23)11-21-16-9-14(22(24)25)7-6-12(16)10-18-21/h3-10H,11H2,1-2H3,(H,19,23).
What are the key properties of N-[3-(dimethylsulfamoyl)phenyl]-2-(6-nitroindazol-1-yl)acetamide?
N-[3-(dimethylsulfamoyl)phenyl]-2-(6-nitroindazol-1-yl)acetamide has a molecular weight of 403.42 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)phenyl]-2-(6-nitroindazol-1-yl)acetamide is sourced from PubChem (CID 18151447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).