N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3-fluorobenzenesulfonamide

C22H18ClFN2O3S — CID 53009040

IUPACN-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3-fluorobenzenesulfonamide
SMILESO=C(c1ccc(Cl)cc1)N1CCc2cc(CNS(=O)(=O)c3cccc(F)c3)ccc21
InChIInChI=1S/C22H18ClFN2O3S/c23-18-7-5-16(6-8-18)22(27)26-11-10-17-12-15(4-9-21(17)26)14-25-30(28,29)20-3-1-2-19(24)13-20/h1-9,12-13,25H,10-11,14H2
InChIKeyIDERGMQXCJOOLC-UHFFFAOYSA-N
MW444.92 g/mol
LogP4.16
Rot. Bonds5

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

N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3-fluorobenzenesulfonamide (PubChem CID 53009040) has the molecular formula C22H18ClFN2O3S and a molecular weight of 444.92 g/mol. Its IUPAC name is N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3-fluorobenzenesulfonamide
PubChem CID53009040
Molecular FormulaC22H18ClFN2O3S
Molecular Weight444.92 g/mol
Exact Mass444.07
IUPAC NameN-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3-fluorobenzenesulfonamide
SMILESO=C(c1ccc(Cl)cc1)N1CCc2cc(CNS(=O)(=O)c3cccc(F)c3)ccc21
InChIInChI=1S/C22H18ClFN2O3S/c23-18-7-5-16(6-8-18)22(27)26-11-10-17-12-15(4-9-21(17)26)14-25-30(28,29)20-3-1-2-19(24)13-20/h1-9,12-13,25H,10-11,14H2
InChIKeyIDERGMQXCJOOLC-UHFFFAOYSA-N
XLogP4.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.92
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]benzenesulfonamide
CID 53092575
N-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-fluorobenzenesulfonamide
CID 53102675
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]-3,4-dimethoxybenzenesulfonamide
CID 53092608
3-chloro-N-[[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]methyl]benzenesulfonamide
CID 53092691
1-(4-chlorobenzoyl)-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247998
3,4-dimethoxy-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]benzenesulfonamide
CID 53092532
3-chloro-4-fluoro-N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]benzenesulfonamide
CID 53092634
N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-2,5-dimethoxybenzenesulfonamide
CID 53009052
N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-6-yl]methyl]propane-1-sulfonamide
CID 53102502
N-[(4-chlorophenyl)methyl]-1-(4-oxo-4-pyrrolidin-1-ylbutanoyl)-2,3-dihydroindole-5-sulfonamide
CID 53030615
4-fluoro-N-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102572

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3-fluorobenzenesulfonamide?
The IUPAC name of N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3-fluorobenzenesulfonamide (CID 53009040) is N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3-fluorobenzenesulfonamide is O=C(c1ccc(Cl)cc1)N1CCc2cc(CNS(=O)(=O)c3cccc(F)c3)ccc21.
What is the InChIKey of N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3-fluorobenzenesulfonamide?
The InChIKey is IDERGMQXCJOOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN2O3S/c23-18-7-5-16(6-8-18)22(27)26-11-10-17-12-15(4-9-21(17)26)14-25-30(28,29)20-3-1-2-19(24)13-20/h1-9,12-13,25H,10-11,14H2.
What are the key properties of N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3-fluorobenzenesulfonamide?
N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3-fluorobenzenesulfonamide has a molecular weight of 444.92 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 53009040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).