3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide

C21H18N2O3S — CID 2704832

IUPAC3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C21H18N2O3S/c24-21(22-18-9-2-1-3-10-18)17-8-6-11-19(15-17)27(25,26)23-14-13-16-7-4-5-12-20(16)23/h1-12,15H,13-14H2,(H,22,24)
InChIKeyJAZFJBPVGUDVNN-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.69
Rot. Bonds4

About 3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide

3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide (PubChem CID 2704832) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide
PubChem CID2704832
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC Name3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C21H18N2O3S/c24-21(22-18-9-2-1-3-10-18)17-8-6-11-19(15-17)27(25,26)23-14-13-16-7-4-5-12-20(16)23/h1-12,15H,13-14H2,(H,22,24)
InChIKeyJAZFJBPVGUDVNN-UHFFFAOYSA-N
XLogP3.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 7900124
3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-3-ylbenzamide
CID 2477308
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-phenylpyrimidin-5-yl)benzamide
CID 134009183
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(N-propan-2-ylanilino)phenyl]benzamide
CID 2509035
N-[4-(cyclopropylcarbamoylamino)phenyl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 55532354
N-(2-benzamidoethyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 55549519
(2-anilino-2-oxoethyl) 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 2551453
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,3-dimethylphenyl)benzamide
CID 7947076
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-propan-2-ylphenyl)benzamide
CID 7958230
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-methylpiperazin-1-yl)benzamide
CID 9204710
3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 7062520
(4-acetamidophenyl) 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 26188182

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide?
The IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide (CID 2704832) is 3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide.
What is the SMILES notation for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide?
The canonical SMILES for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide is O=C(Nc1ccccc1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1.
What is the InChIKey of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide?
The InChIKey is JAZFJBPVGUDVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3S/c24-21(22-18-9-2-1-3-10-18)17-8-6-11-19(15-17)27(25,26)23-14-13-16-7-4-5-12-20(16)23/h1-12,15H,13-14H2,(H,22,24).
What are the key properties of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide?
3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide has a molecular weight of 378.45 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide is sourced from PubChem (CID 2704832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).