3,4-dimethoxy-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide

C25H26N2O5S — CID 53102552

IUPAC3,4-dimethoxy-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2C)CC3)cc1OC
InChIInChI=1S/C25H26N2O5S/c1-17-6-4-5-7-21(17)25(28)27-13-12-19-9-8-18(14-22(19)27)16-26-33(29,30)20-10-11-23(31-2)24(15-20)32-3/h4-11,14-15,26H,12-13,16H2,1-3H3
InChIKeyOUCCNPJQEHQWAC-UHFFFAOYSA-N
MW466.56 g/mol
LogP3.69
Rot. Bonds7

About 3,4-dimethoxy-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide

3,4-dimethoxy-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide (PubChem CID 53102552) has the molecular formula C25H26N2O5S and a molecular weight of 466.56 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
PubChem CID53102552
Molecular FormulaC25H26N2O5S
Molecular Weight466.56 g/mol
Exact Mass466.16
IUPAC Name3,4-dimethoxy-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2C)CC3)cc1OC
InChIInChI=1S/C25H26N2O5S/c1-17-6-4-5-7-21(17)25(28)27-13-12-19-9-8-18(14-22(19)27)16-26-33(29,30)20-10-11-23(31-2)24(15-20)32-3/h4-11,14-15,26H,12-13,16H2,1-3H3
InChIKeyOUCCNPJQEHQWAC-UHFFFAOYSA-N
XLogP3.69
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-methoxy-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102558
3-chloro-4-fluoro-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102553
2-methyl-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102547
N-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3,4-dimethylbenzenesulfonamide
CID 53102668
3,4-dimethoxy-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]benzenesulfonamide
CID 53092532
N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3,4-dimethoxybenzenesulfonamide
CID 53092608
N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3,4-dimethoxybenzenesulfonamide
CID 53092587
3-(2,3-dihydroindole-1-carbonyl)-N-ethyl-4-methoxybenzenesulfonamide
CID 19257849
3-methyl-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]butanamide
CID 53099310
N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-2-phenoxyacetamide
CID 53099323
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

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide (CID 53102552) is 3,4-dimethoxy-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2C)CC3)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide?
The InChIKey is OUCCNPJQEHQWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5S/c1-17-6-4-5-7-21(17)25(28)27-13-12-19-9-8-18(14-22(19)27)16-26-33(29,30)20-10-11-23(31-2)24(15-20)32-3/h4-11,14-15,26H,12-13,16H2,1-3H3.
What are the key properties of 3,4-dimethoxy-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide?
3,4-dimethoxy-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide has a molecular weight of 466.56 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 53102552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).