N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-6-yl]methyl]-1H-imidazole-5-sulfonamide

C19H17ClN4O3S — CID 53102511

IUPACN-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-6-yl]methyl]-1H-imidazole-5-sulfonamide
SMILESO=C(c1ccc(Cl)cc1)N1CCc2ccc(CNS(=O)(=O)c3cnc[nH]3)cc21
InChIInChI=1S/C19H17ClN4O3S/c20-16-5-3-15(4-6-16)19(25)24-8-7-14-2-1-13(9-17(14)24)10-23-28(26,27)18-11-21-12-22-18/h1-6,9,11-12,23H,7-8,10H2,(H,21,22)
InChIKeyRGOKNSVBZPEIFP-UHFFFAOYSA-N
MW416.89 g/mol
LogP2.74
Rot. Bonds5

About N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-6-yl]methyl]-1H-imidazole-5-sulfonamide

N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-6-yl]methyl]-1H-imidazole-5-sulfonamide (PubChem CID 53102511) has the molecular formula C19H17ClN4O3S and a molecular weight of 416.89 g/mol. Its IUPAC name is N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-6-yl]methyl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-6-yl]methyl]-1H-imidazole-5-sulfonamide
PubChem CID53102511
Molecular FormulaC19H17ClN4O3S
Molecular Weight416.89 g/mol
Exact Mass416.07
IUPAC NameN-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-6-yl]methyl]-1H-imidazole-5-sulfonamide
SMILESO=C(c1ccc(Cl)cc1)N1CCc2ccc(CNS(=O)(=O)c3cnc[nH]3)cc21
InChIInChI=1S/C19H17ClN4O3S/c20-16-5-3-15(4-6-16)19(25)24-8-7-14-2-1-13(9-17(14)24)10-23-28(26,27)18-11-21-12-22-18/h1-6,9,11-12,23H,7-8,10H2,(H,21,22)
InChIKeyRGOKNSVBZPEIFP-UHFFFAOYSA-N
XLogP2.74
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.89
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-6-yl]methyl]-1H-imidazole-5-sulfonamide 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-chlorobenzoyl)-2,3-dihydroindol-6-yl]methyl]propane-1-sulfonamide
CID 53102502
N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]benzenesulfonamide
CID 53092575
2,4-dimethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102632
N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3-fluorobenzenesulfonamide
CID 53009040
3,5-dimethyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-1,2-oxazole-4-sulfonamide
CID 53102643
N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-6-yl]methyl]-2-fluorobenzamide
CID 53099088
N-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3-fluorobenzenesulfonamide
CID 53102675
N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 53102636
N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3,4-dimethoxybenzenesulfonamide
CID 53092587
N-[(1-benzoyl-2,3-dihydroindol-6-yl)methyl]-3,4-dimethylbenzenesulfonamide
CID 53102668
5-fluoro-2-methyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102645
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-chlorobenzoyl)-2,3-dihydroindol-6-yl]methyl]-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-6-yl]methyl]-1H-imidazole-5-sulfonamide (CID 53102511) is N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-6-yl]methyl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-6-yl]methyl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-6-yl]methyl]-1H-imidazole-5-sulfonamide is O=C(c1ccc(Cl)cc1)N1CCc2ccc(CNS(=O)(=O)c3cnc[nH]3)cc21.
What is the InChIKey of N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-6-yl]methyl]-1H-imidazole-5-sulfonamide?
The InChIKey is RGOKNSVBZPEIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O3S/c20-16-5-3-15(4-6-16)19(25)24-8-7-14-2-1-13(9-17(14)24)10-23-28(26,27)18-11-21-12-22-18/h1-6,9,11-12,23H,7-8,10H2,(H,21,22).
What are the key properties of N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-6-yl]methyl]-1H-imidazole-5-sulfonamide?
N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-6-yl]methyl]-1H-imidazole-5-sulfonamide has a molecular weight of 416.89 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-6-yl]methyl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 53102511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).