methyl 2-[5-nitro-3-(pyridin-3-ylsulfamoyl)indol-1-yl]acetate

C16H14N4O6S — CID 46276499

IUPACmethyl 2-[5-nitro-3-(pyridin-3-ylsulfamoyl)indol-1-yl]acetate
SMILESCOC(=O)Cn1cc(S(=O)(=O)Nc2cccnc2)c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C16H14N4O6S/c1-26-16(21)10-19-9-15(13-7-12(20(22)23)4-5-14(13)19)27(24,25)18-11-3-2-6-17-8-11/h2-9,18H,10H2,1H3
InChIKeyYYJZMDGKDWPKCY-UHFFFAOYSA-N
MW390.38 g/mol
LogP1.92
Rot. Bonds6

About methyl 2-[5-nitro-3-(pyridin-3-ylsulfamoyl)indol-1-yl]acetate

methyl 2-[5-nitro-3-(pyridin-3-ylsulfamoyl)indol-1-yl]acetate (PubChem CID 46276499) has the molecular formula C16H14N4O6S and a molecular weight of 390.38 g/mol. Its IUPAC name is methyl 2-[5-nitro-3-(pyridin-3-ylsulfamoyl)indol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-nitro-3-(pyridin-3-ylsulfamoyl)indol-1-yl]acetate
PubChem CID46276499
Molecular FormulaC16H14N4O6S
Molecular Weight390.38 g/mol
Exact Mass390.06
IUPAC Namemethyl 2-[5-nitro-3-(pyridin-3-ylsulfamoyl)indol-1-yl]acetate
SMILESCOC(=O)Cn1cc(S(=O)(=O)Nc2cccnc2)c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C16H14N4O6S/c1-26-16(21)10-19-9-15(13-7-12(20(22)23)4-5-14(13)19)27(24,25)18-11-3-2-6-17-8-11/h2-9,18H,10H2,1H3
InChIKeyYYJZMDGKDWPKCY-UHFFFAOYSA-N
XLogP1.92
TPSA133.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze methyl 2-[5-nitro-3-(pyridin-3-ylsulfamoyl)indol-1-yl]acetate 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

methyl 2-[3-[(3-methylphenyl)sulfamoyl]-5-nitroindol-1-yl]acetate
CID 46276521
methyl 2-[3-[(4-methylphenyl)sulfamoyl]-5-nitroindol-1-yl]acetate
CID 46374843
methyl 2-[3-[(4-acetylphenyl)sulfamoyl]-5-nitroindol-1-yl]acetate
CID 46276498
2-(methylamino)-5-nitro-N-pyridin-3-ylbenzenesulfonamide
CID 62150398
methyl 2-[2-oxo-6-(pyridin-3-ylsulfamoyl)-1,3-benzoxazol-3-yl]acetate
CID 53051805
2-(4-nitrophenoxy)-N-pyridin-3-ylbenzenesulfonamide
CID 70868021
4-(4-nitrophenoxy)-N-pyridin-3-ylbenzenesulfonamide
CID 1355803
3,5-dichloro-4-(2-chloro-4-nitrophenoxy)-N-pyridin-3-ylbenzenesulfonamide
CID 59982411
4-hydroxy-3-nitro-N-pyridin-3-ylbenzenesulfonamide
CID 43217817
N-(4-methoxyphenyl)-5-nitro-2-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzenesulfonamide
CID 6304428
2-methoxy-4,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide
CID 6472703
2-[3-(4-methylphenyl)sulfonylindol-1-yl]-N-pyridin-3-ylacetamide
CID 16935688

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-nitro-3-(pyridin-3-ylsulfamoyl)indol-1-yl]acetate?
The IUPAC name of methyl 2-[5-nitro-3-(pyridin-3-ylsulfamoyl)indol-1-yl]acetate (CID 46276499) is methyl 2-[5-nitro-3-(pyridin-3-ylsulfamoyl)indol-1-yl]acetate.
What is the SMILES notation for methyl 2-[5-nitro-3-(pyridin-3-ylsulfamoyl)indol-1-yl]acetate?
The canonical SMILES for methyl 2-[5-nitro-3-(pyridin-3-ylsulfamoyl)indol-1-yl]acetate is COC(=O)Cn1cc(S(=O)(=O)Nc2cccnc2)c2cc([N+](=O)[O-])ccc21.
What is the InChIKey of methyl 2-[5-nitro-3-(pyridin-3-ylsulfamoyl)indol-1-yl]acetate?
The InChIKey is YYJZMDGKDWPKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O6S/c1-26-16(21)10-19-9-15(13-7-12(20(22)23)4-5-14(13)19)27(24,25)18-11-3-2-6-17-8-11/h2-9,18H,10H2,1H3.
What are the key properties of methyl 2-[5-nitro-3-(pyridin-3-ylsulfamoyl)indol-1-yl]acetate?
methyl 2-[5-nitro-3-(pyridin-3-ylsulfamoyl)indol-1-yl]acetate has a molecular weight of 390.38 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-nitro-3-(pyridin-3-ylsulfamoyl)indol-1-yl]acetate is sourced from PubChem (CID 46276499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).