2-methyl-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide

C24H24N2O3S — CID 53102547

IUPAC2-methyl-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
SMILESCc1ccccc1C(=O)N1CCc2ccc(CNS(=O)(=O)c3ccccc3C)cc21
InChIInChI=1S/C24H24N2O3S/c1-17-7-3-5-9-21(17)24(27)26-14-13-20-12-11-19(15-22(20)26)16-25-30(28,29)23-10-6-4-8-18(23)2/h3-12,15,25H,13-14,16H2,1-2H3
InChIKeyXFADCDQRWRPBHZ-UHFFFAOYSA-N
MW420.53 g/mol
LogP3.98
Rot. Bonds5

About 2-methyl-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide

2-methyl-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide (PubChem CID 53102547) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is 2-methyl-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
PubChem CID53102547
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC Name2-methyl-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
SMILESCc1ccccc1C(=O)N1CCc2ccc(CNS(=O)(=O)c3ccccc3C)cc21
InChIInChI=1S/C24H24N2O3S/c1-17-7-3-5-9-21(17)24(27)26-14-13-20-12-11-19(15-22(20)26)16-25-30(28,29)23-10-6-4-8-18(23)2/h3-12,15,25H,13-14,16H2,1-2H3
InChIKeyXFADCDQRWRPBHZ-UHFFFAOYSA-N
XLogP3.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide with MolForge

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Related Compounds

5-chloro-2-methoxy-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102558
3,4-dimethoxy-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102552
3-chloro-4-fluoro-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102553
2,4-dimethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102632
3-methyl-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]butanamide
CID 53099310
N-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3,4-dimethylbenzenesulfonamide
CID 53102668
5-fluoro-2-methyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102645
N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-2-phenoxyacetamide
CID 53099323
N-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]methanesulfonamide
CID 53102574
N-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-fluorobenzenesulfonamide
CID 53102675
4-fluoro-N-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102572
N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-2-chlorobenzenesulfonamide
CID 53092459

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide?
The IUPAC name of 2-methyl-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide (CID 53102547) is 2-methyl-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2-methyl-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide is Cc1ccccc1C(=O)N1CCc2ccc(CNS(=O)(=O)c3ccccc3C)cc21.
What is the InChIKey of 2-methyl-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide?
The InChIKey is XFADCDQRWRPBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S/c1-17-7-3-5-9-21(17)24(27)26-14-13-20-12-11-19(15-22(20)26)16-25-30(28,29)23-10-6-4-8-18(23)2/h3-12,15,25H,13-14,16H2,1-2H3.
What are the key properties of 2-methyl-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide?
2-methyl-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide has a molecular weight of 420.53 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 53102547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).