N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-2,5-dimethoxybenzenesulfonamide

C24H23FN2O5S — CID 53009052

IUPACN-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C24H23FN2O5S/c1-31-20-8-10-22(32-2)23(14-20)33(29,30)26-15-16-3-9-21-18(13-16)11-12-27(21)24(28)17-4-6-19(25)7-5-17/h3-10,13-14,26H,11-12,15H2,1-2H3
InChIKeyXNMFGMHAILBOGN-UHFFFAOYSA-N
MW470.52 g/mol
LogP3.52
Rot. Bonds7

About N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-2,5-dimethoxybenzenesulfonamide

N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-2,5-dimethoxybenzenesulfonamide (PubChem CID 53009052) has the molecular formula C24H23FN2O5S and a molecular weight of 470.52 g/mol. Its IUPAC name is N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-2,5-dimethoxybenzenesulfonamide
PubChem CID53009052
Molecular FormulaC24H23FN2O5S
Molecular Weight470.52 g/mol
Exact Mass470.13
IUPAC NameN-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C24H23FN2O5S/c1-31-20-8-10-22(32-2)23(14-20)33(29,30)26-15-16-3-9-21-18(13-16)11-12-27(21)24(28)17-4-6-19(25)7-5-17/h3-10,13-14,26H,11-12,15H2,1-2H3
InChIKeyXNMFGMHAILBOGN-UHFFFAOYSA-N
XLogP3.52
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.52
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-2,5-dimethoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3,4-dimethoxybenzenesulfonamide
CID 53092608
N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3,4-dimethoxybenzamide
CID 53093752
3,4-dimethoxy-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]benzenesulfonamide
CID 53092532
N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3,4-dimethoxybenzenesulfonamide
CID 53092587
N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-2-methoxybenzamide
CID 53093773
2-methoxy-5-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-N-methylbenzenesulfonamide
CID 34363466
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,5-dimethoxybenzenesulfonamide
CID 110780390
N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3-fluorobenzenesulfonamide
CID 53009040
[5-(aminomethyl)-2,3-dihydroindol-1-yl]-(4-methoxyphenyl)methanone
CID 53212554
5-fluoro-2-methyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102645
4-methoxy-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzenesulfonamide
CID 53092470
1-(difluoromethyl)-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]-5-methylpyrazole-4-sulfonamide
CID 53102493

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-2,5-dimethoxybenzenesulfonamide (CID 53009052) is N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccc(F)cc2)c1.
What is the InChIKey of N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-2,5-dimethoxybenzenesulfonamide?
The InChIKey is XNMFGMHAILBOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O5S/c1-31-20-8-10-22(32-2)23(14-20)33(29,30)26-15-16-3-9-21-18(13-16)11-12-27(21)24(28)17-4-6-19(25)7-5-17/h3-10,13-14,26H,11-12,15H2,1-2H3.
What are the key properties of N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-2,5-dimethoxybenzenesulfonamide?
N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-2,5-dimethoxybenzenesulfonamide has a molecular weight of 470.52 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 53009052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).