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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Related Compounds

2-[4-Methyl-3-(piperidine-1-sulfonyl)phenyl]-2,3-dihydro-1,2-benzothiazol-3-one
CID 2327953
5-[[4-(4-Acetylphenyl)-1-piperazinyl]sulfonyl]-1,3-dihydroindol-2-one
CID 20969430
1-methyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 1511494
1-Methyl-5-{[(phenylethyl)amino]sulfonyl}indolin-2-one
CID 3163725
N,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide
CID 5040456
5-(3,5-Dimethyl-piperidine-1-sulfonyl)-1,3-dihydro-indol-2-one
CID 16307044
N-Phenyl-3-(1-piperidinylsulfonyl)benzamide
CID 558837
1H-Indole-2,3-dione, 5-((4-methyl-1-piperidinyl)sulfonyl)-
CID 4117477
3-(1-(3,4-difluorobenzyl)-2-oxoindolin-7-yl)-N-(3,4-difluorophenylsulfonyl)acrylamide
CID 46885502
4-methyl-N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]benzamide
CID 738960
3-[(dimethylamino)sulfonyl]-N-{2-[(4-methyl-1-piperidinyl)carbonyl]phenyl}benzamide
CID 992258
3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(2-isopropenylphenyl)propanamide
CID 1003709

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).