4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-methylphenyl)benzamide

C22H20N2O3S — CID 109061663

IUPAC4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)c1
InChIInChI=1S/C22H20N2O3S/c1-16-5-4-7-19(15-16)23-22(25)18-9-11-20(12-10-18)28(26,27)24-14-13-17-6-2-3-8-21(17)24/h2-12,15H,13-14H2,1H3,(H,23,25)
InChIKeyIRVOAHMHUIQDMJ-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.00
Rot. Bonds4

About 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-methylphenyl)benzamide

4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-methylphenyl)benzamide (PubChem CID 109061663) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-methylphenyl)benzamide
PubChem CID109061663
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC Name4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)c1
InChIInChI=1S/C22H20N2O3S/c1-16-5-4-7-19(15-16)23-22(25)18-9-11-20(12-10-18)28(26,27)24-14-13-17-6-2-3-8-21(17)24/h2-12,15H,13-14H2,1H3,(H,23,25)
InChIKeyIRVOAHMHUIQDMJ-UHFFFAOYSA-N
XLogP4.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-phenylbenzamide
CID 1010301
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyridine-4-carboxamide
CID 4930404
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 23800625
3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide
CID 2704832
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 16548505
1-(3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 5010201
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-nitrobenzamide
CID 1362502
4-(2,3-dihydroindol-1-ylsulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 3590382
N-(3-chlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 7900124
1-(benzenesulfonyl)-N-(3-bromophenyl)-2,3-dihydroindole-5-carboxamide
CID 46262859
4-(azepan-1-ylsulfonyl)-N-(3-methylphenyl)benzamide
CID 71904572
1-(4-bromophenyl)sulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide
CID 46262940

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-methylphenyl)benzamide?
The IUPAC name of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-methylphenyl)benzamide (CID 109061663) is 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-methylphenyl)benzamide?
The canonical SMILES for 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-methylphenyl)benzamide is Cc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)c1.
What is the InChIKey of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-methylphenyl)benzamide?
The InChIKey is IRVOAHMHUIQDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-16-5-4-7-19(15-16)23-22(25)18-9-11-20(12-10-18)28(26,27)24-14-13-17-6-2-3-8-21(17)24/h2-12,15H,13-14H2,1H3,(H,23,25).
What are the key properties of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-methylphenyl)benzamide?
4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-methylphenyl)benzamide has a molecular weight of 392.48 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 109061663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).