3-(2,3-dihydroindol-1-ylsulfonyl)-N-[3-(dimethylsulfamoyl)phenyl]benzamide

C23H23N3O5S2 — CID 5031360

IUPAC3-(2,3-dihydroindol-1-ylsulfonyl)-N-[3-(dimethylsulfamoyl)phenyl]benzamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)c1
InChIInChI=1S/C23H23N3O5S2/c1-25(2)32(28,29)21-11-6-9-19(16-21)24-23(27)18-8-5-10-20(15-18)33(30,31)26-14-13-17-7-3-4-12-22(17)26/h3-12,15-16H,13-14H2,1-2H3,(H,24,27)
InChIKeyIFHHXZAIOVLQSZ-UHFFFAOYSA-N
MW485.59 g/mol
LogP2.94
Rot. Bonds6

About 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[3-(dimethylsulfamoyl)phenyl]benzamide

3-(2,3-dihydroindol-1-ylsulfonyl)-N-[3-(dimethylsulfamoyl)phenyl]benzamide (PubChem CID 5031360) has the molecular formula C23H23N3O5S2 and a molecular weight of 485.59 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[3-(dimethylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-ylsulfonyl)-N-[3-(dimethylsulfamoyl)phenyl]benzamide
PubChem CID5031360
Molecular FormulaC23H23N3O5S2
Molecular Weight485.59 g/mol
Exact Mass485.11
IUPAC Name3-(2,3-dihydroindol-1-ylsulfonyl)-N-[3-(dimethylsulfamoyl)phenyl]benzamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)c1
InChIInChI=1S/C23H23N3O5S2/c1-25(2)32(28,29)21-11-6-9-19(16-21)24-23(27)18-8-5-10-20(15-18)33(30,31)26-14-13-17-7-3-4-12-22(17)26/h3-12,15-16H,13-14H2,1-2H3,(H,24,27)
InChIKeyIFHHXZAIOVLQSZ-UHFFFAOYSA-N
XLogP2.94
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[3-(dimethylsulfamoyl)phenyl]benzamide?
The IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[3-(dimethylsulfamoyl)phenyl]benzamide (CID 5031360) is 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[3-(dimethylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[3-(dimethylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[3-(dimethylsulfamoyl)phenyl]benzamide is CN(C)S(=O)(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)c1.
What is the InChIKey of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[3-(dimethylsulfamoyl)phenyl]benzamide?
The InChIKey is IFHHXZAIOVLQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5S2/c1-25(2)32(28,29)21-11-6-9-19(16-21)24-23(27)18-8-5-10-20(15-18)33(30,31)26-14-13-17-7-3-4-12-22(17)26/h3-12,15-16H,13-14H2,1-2H3,(H,24,27).
What are the key properties of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[3-(dimethylsulfamoyl)phenyl]benzamide?
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[3-(dimethylsulfamoyl)phenyl]benzamide has a molecular weight of 485.59 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-[3-(dimethylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 5031360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).