3-(dimethylsulfamoyl)-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide

C17H15FN4O4S — CID 135576182

IUPAC3-(dimethylsulfamoyl)-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)/N=N/c2c(O)[nH]c3ccc(F)cc23)c1
InChIInChI=1S/C17H15FN4O4S/c1-22(2)27(25,26)12-5-3-4-10(8-12)16(23)21-20-15-13-9-11(18)6-7-14(13)19-17(15)24/h3-9,19,24H,1-2H3/b21-20+
InChIKeyMCJQOZRHFNAGTA-QZQOTICOSA-N
MW390.40 g/mol
LogP3.19
Rot. Bonds4

About 3-(dimethylsulfamoyl)-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide

3-(dimethylsulfamoyl)-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide (PubChem CID 135576182) has the molecular formula C17H15FN4O4S and a molecular weight of 390.40 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide
PubChem CID135576182
Molecular FormulaC17H15FN4O4S
Molecular Weight390.40 g/mol
Exact Mass390.08
IUPAC Name3-(dimethylsulfamoyl)-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)/N=N/c2c(O)[nH]c3ccc(F)cc23)c1
InChIInChI=1S/C17H15FN4O4S/c1-22(2)27(25,26)12-5-3-4-10(8-12)16(23)21-20-15-13-9-11(18)6-7-14(13)19-17(15)24/h3-9,19,24H,1-2H3/b21-20+
InChIKeyMCJQOZRHFNAGTA-QZQOTICOSA-N
XLogP3.19
TPSA115.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 135784571
N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide
CID 5021886
4-chloro-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 5156367
N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-1,3-benzodioxole-5-carboxamide
CID 703979
N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-3-(dimethylamino)benzamide
CID 135982620
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-3-methylbenzamide
CID 3870793
4-fluoro-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]benzamide
CID 135775134
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-hydroxybenzamide
CID 1381490
4-fluoro-N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 135836764
N-[(2-hydroxy-1H-indol-3-yl)imino]-3-methylbenzamide
CID 749780
2-N,4-N-bis[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3,5-dimethyl-1H-pyrrole-2,4-dicarboxamide
CID 137226369
3-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 749764

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide (CID 135576182) is 3-(dimethylsulfamoyl)-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide is CN(C)S(=O)(=O)c1cccc(C(=O)/N=N/c2c(O)[nH]c3ccc(F)cc23)c1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide?
The InChIKey is MCJQOZRHFNAGTA-QZQOTICOSA-N. The full InChI is InChI=1S/C17H15FN4O4S/c1-22(2)27(25,26)12-5-3-4-10(8-12)16(23)21-20-15-13-9-11(18)6-7-14(13)19-17(15)24/h3-9,19,24H,1-2H3/b21-20+.
What are the key properties of 3-(dimethylsulfamoyl)-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide?
3-(dimethylsulfamoyl)-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide has a molecular weight of 390.40 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide is sourced from PubChem (CID 135576182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).