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

C23H20ClFN2O3S — CID 53102553

IUPAC3-chloro-4-fluoro-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
SMILESCc1ccccc1C(=O)N1CCc2ccc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)cc21
InChIInChI=1S/C23H20ClFN2O3S/c1-15-4-2-3-5-19(15)23(28)27-11-10-17-7-6-16(12-22(17)27)14-26-31(29,30)18-8-9-21(25)20(24)13-18/h2-9,12-13,26H,10-11,14H2,1H3
InChIKeyGDGIDLTZTYVSIN-UHFFFAOYSA-N
MW458.94 g/mol
LogP4.47
Rot. Bonds5

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

3-chloro-4-fluoro-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide (PubChem CID 53102553) has the molecular formula C23H20ClFN2O3S and a molecular weight of 458.94 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
PubChem CID53102553
Molecular FormulaC23H20ClFN2O3S
Molecular Weight458.94 g/mol
Exact Mass458.09
IUPAC Name3-chloro-4-fluoro-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
SMILESCc1ccccc1C(=O)N1CCc2ccc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)cc21
InChIInChI=1S/C23H20ClFN2O3S/c1-15-4-2-3-5-19(15)23(28)27-11-10-17-7-6-16(12-22(17)27)14-26-31(29,30)18-8-9-21(25)20(24)13-18/h2-9,12-13,26H,10-11,14H2,1H3
InChIKeyGDGIDLTZTYVSIN-UHFFFAOYSA-N
XLogP4.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.94
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

3,4-dimethoxy-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102552
2-methyl-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102547
5-chloro-2-methoxy-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102558
N-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3,4-dimethylbenzenesulfonamide
CID 53102668
3-chloro-4-fluoro-N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]benzenesulfonamide
CID 53092634
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
3-chloro-4-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
CID 24581072
3-methyl-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]butanamide
CID 53099310
N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3-fluorobenzenesulfonamide
CID 53009040
N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]benzenesulfonamide
CID 53092575
N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-2-phenoxyacetamide
CID 53099323

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide (CID 53102553) is 3-chloro-4-fluoro-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide is Cc1ccccc1C(=O)N1CCc2ccc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)cc21.
What is the InChIKey of 3-chloro-4-fluoro-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide?
The InChIKey is GDGIDLTZTYVSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN2O3S/c1-15-4-2-3-5-19(15)23(28)27-11-10-17-7-6-16(12-22(17)27)14-26-31(29,30)18-8-9-21(25)20(24)13-18/h2-9,12-13,26H,10-11,14H2,1H3.
What are the key properties of 3-chloro-4-fluoro-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide?
3-chloro-4-fluoro-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide has a molecular weight of 458.94 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 53102553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).