3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,3-dimethylphenyl)benzamide

C23H22N2O3S — CID 7947076

IUPAC3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,3-dimethylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)c1C
InChIInChI=1S/C23H22N2O3S/c1-16-7-5-11-21(17(16)2)24-23(26)19-9-6-10-20(15-19)29(27,28)25-14-13-18-8-3-4-12-22(18)25/h3-12,15H,13-14H2,1-2H3,(H,24,26)
InChIKeyOYXRIRCCACZNKV-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.31
Rot. Bonds4

About 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,3-dimethylphenyl)benzamide

3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,3-dimethylphenyl)benzamide (PubChem CID 7947076) has the molecular formula C23H22N2O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,3-dimethylphenyl)benzamide.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,3-dimethylphenyl)benzamide
PubChem CID7947076
Molecular FormulaC23H22N2O3S
Molecular Weight406.51 g/mol
Exact Mass406.14
IUPAC Name3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,3-dimethylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)c1C
InChIInChI=1S/C23H22N2O3S/c1-16-7-5-11-21(17(16)2)24-23(26)19-9-6-10-20(15-19)29(27,28)25-14-13-18-8-3-4-12-22(18)25/h3-12,15H,13-14H2,1-2H3,(H,24,26)
InChIKeyOYXRIRCCACZNKV-UHFFFAOYSA-N
XLogP4.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methyl-3-nitrophenyl)benzamide
CID 26796768
3-[[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-N,4-dimethylbenzamide
CID 39132073
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-propan-2-ylphenyl)benzamide
CID 7958230
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4983147
3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide
CID 2704832
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-methylpiperazin-1-yl)benzamide
CID 9204710
N-(3-chlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 7900124
N-[2-(2-bromoanilino)-2-oxoethyl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 2458986
N-(2-benzamidoethyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 55549519
N-[4-(cyclopropylcarbamoylamino)phenyl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 55532354
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-methylpiperazin-4-ium-1-yl)benzamide
CID 9204709
3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-3-ylbenzamide
CID 2477308

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,3-dimethylphenyl)benzamide?
The IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,3-dimethylphenyl)benzamide (CID 7947076) is 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,3-dimethylphenyl)benzamide.
What is the SMILES notation for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,3-dimethylphenyl)benzamide?
The canonical SMILES for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,3-dimethylphenyl)benzamide is Cc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)c1C.
What is the InChIKey of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,3-dimethylphenyl)benzamide?
The InChIKey is OYXRIRCCACZNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3S/c1-16-7-5-11-21(17(16)2)24-23(26)19-9-6-10-20(15-19)29(27,28)25-14-13-18-8-3-4-12-22(18)25/h3-12,15H,13-14H2,1-2H3,(H,24,26).
What are the key properties of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,3-dimethylphenyl)benzamide?
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,3-dimethylphenyl)benzamide has a molecular weight of 406.51 g/mol, XLogP of 4.31, 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-(2,3-dimethylphenyl)benzamide is sourced from PubChem (CID 7947076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).