N-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-fluorobenzenesulfonamide

C22H19FN2O3S — CID 53102675

IUPACN-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-fluorobenzenesulfonamide
SMILESO=C(c1ccccc1)N1CCc2ccc(CNS(=O)(=O)c3cccc(F)c3)cc21
InChIInChI=1S/C22H19FN2O3S/c23-19-7-4-8-20(14-19)29(27,28)24-15-16-9-10-17-11-12-25(21(17)13-16)22(26)18-5-2-1-3-6-18/h1-10,13-14,24H,11-12,15H2
InChIKeyMCLRXEQCNCMAKS-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.51
Rot. Bonds5

About N-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-fluorobenzenesulfonamide

N-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-fluorobenzenesulfonamide (PubChem CID 53102675) has the molecular formula C22H19FN2O3S and a molecular weight of 410.47 g/mol. Its IUPAC name is N-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-fluorobenzenesulfonamide
PubChem CID53102675
Molecular FormulaC22H19FN2O3S
Molecular Weight410.47 g/mol
Exact Mass410.11
IUPAC NameN-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-fluorobenzenesulfonamide
SMILESO=C(c1ccccc1)N1CCc2ccc(CNS(=O)(=O)c3cccc(F)c3)cc21
InChIInChI=1S/C22H19FN2O3S/c23-19-7-4-8-20(14-19)29(27,28)24-15-16-9-10-17-11-12-25(21(17)13-16)22(26)18-5-2-1-3-6-18/h1-10,13-14,24H,11-12,15H2
InChIKeyMCLRXEQCNCMAKS-UHFFFAOYSA-N
XLogP3.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3,4-dimethylbenzenesulfonamide
CID 53102668
N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3-fluorobenzenesulfonamide
CID 53009040
4-fluoro-N-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102572
5-fluoro-2-methyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102645
N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]benzenesulfonamide
CID 53092575
N-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 53102597
N-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]methanesulfonamide
CID 53102574
3-chloro-4-fluoro-N-[[1-(2-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102553
N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 53102636
3-fluoro-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 47064934
N-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-5-bromofuran-2-carboxamide
CID 53043824
2,4-dimethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102632

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-fluorobenzenesulfonamide?
The IUPAC name of N-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-fluorobenzenesulfonamide (CID 53102675) is N-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-fluorobenzenesulfonamide is O=C(c1ccccc1)N1CCc2ccc(CNS(=O)(=O)c3cccc(F)c3)cc21.
What is the InChIKey of N-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-fluorobenzenesulfonamide?
The InChIKey is MCLRXEQCNCMAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O3S/c23-19-7-4-8-20(14-19)29(27,28)24-15-16-9-10-17-11-12-25(21(17)13-16)22(26)18-5-2-1-3-6-18/h1-10,13-14,24H,11-12,15H2.
What are the key properties of N-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-fluorobenzenesulfonamide?
N-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-fluorobenzenesulfonamide has a molecular weight of 410.47 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 53102675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).