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

C24H23FN2O4S — CID 53102713

IUPAC2-fluoro-N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(C(=O)N2c3cc(CNS(=O)(=O)c4ccccc4F)ccc3CC2C)cc1
InChIInChI=1S/C24H23FN2O4S/c1-16-13-19-8-7-17(15-26-32(29,30)23-6-4-3-5-21(23)25)14-22(19)27(16)24(28)18-9-11-20(31-2)12-10-18/h3-12,14,16,26H,13,15H2,1-2H3
InChIKeyRNHHKWXQEZQRTP-UHFFFAOYSA-N
MW454.52 g/mol
LogP3.90
Rot. Bonds6

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

2-fluoro-N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide (PubChem CID 53102713) has the molecular formula C24H23FN2O4S and a molecular weight of 454.52 g/mol. Its IUPAC name is 2-fluoro-N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
PubChem CID53102713
Molecular FormulaC24H23FN2O4S
Molecular Weight454.52 g/mol
Exact Mass454.14
IUPAC Name2-fluoro-N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(C(=O)N2c3cc(CNS(=O)(=O)c4ccccc4F)ccc3CC2C)cc1
InChIInChI=1S/C24H23FN2O4S/c1-16-13-19-8-7-17(15-26-32(29,30)23-6-4-3-5-21(23)25)14-22(19)27(16)24(28)18-9-11-20(31-2)12-10-18/h3-12,14,16,26H,13,15H2,1-2H3
InChIKeyRNHHKWXQEZQRTP-UHFFFAOYSA-N
XLogP3.90
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.52
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide with MolForge

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Related Compounds

3-fluoro-N-[[(2S)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 95082904
N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-2,5-dimethoxybenzenesulfonamide
CID 95082978
N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-2,4-dimethylbenzenesulfonamide
CID 95082891
4-chloro-N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102694
N-[[(2S)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-methylbenzenesulfonamide
CID 95082926
N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]propane-1-sulfonamide
CID 53102687
N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]-3,4-dimethylbenzenesulfonamide
CID 53102706
2,6-difluoro-N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzamide
CID 53099409
2,6-difluoro-N-[[(2S)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzamide
CID 95081709
N-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 95081567
3-fluoro-N-[[(2R)-1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzamide
CID 95081738
N-[[(2R)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-2,4-dimethylbenzenesulfonamide
CID 95082998

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide (CID 53102713) is 2-fluoro-N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide is COc1ccc(C(=O)N2c3cc(CNS(=O)(=O)c4ccccc4F)ccc3CC2C)cc1.
What is the InChIKey of 2-fluoro-N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide?
The InChIKey is RNHHKWXQEZQRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O4S/c1-16-13-19-8-7-17(15-26-32(29,30)23-6-4-3-5-21(23)25)14-22(19)27(16)24(28)18-9-11-20(31-2)12-10-18/h3-12,14,16,26H,13,15H2,1-2H3.
What are the key properties of 2-fluoro-N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide?
2-fluoro-N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide has a molecular weight of 454.52 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 53102713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).