N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide

C18H22ClIN4O2S — CID 110983775

IUPACN-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCNS(=O)(=O)c1cccc(Cl)c1)N1CCc2ccccc21.I
InChIInChI=1S/C18H21ClN4O2S.HI/c1-20-18(23-12-9-14-5-2-3-8-17(14)23)21-10-11-22-26(24,25)16-7-4-6-15(19)13-16;/h2-8,13,22H,9-12H2,1H3,(H,20,21);1H
InChIKeyVQKVNGKFEWGAPE-UHFFFAOYSA-N
MW520.82 g/mol
LogP2.87
Rot. Bonds5

About N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide

N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide (PubChem CID 110983775) has the molecular formula C18H22ClIN4O2S and a molecular weight of 520.82 g/mol. Its IUPAC name is N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
PubChem CID110983775
Molecular FormulaC18H22ClIN4O2S
Molecular Weight520.82 g/mol
Exact Mass520.02
IUPAC NameN-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCNS(=O)(=O)c1cccc(Cl)c1)N1CCc2ccccc21.I
InChIInChI=1S/C18H21ClN4O2S.HI/c1-20-18(23-12-9-14-5-2-3-8-17(14)23)21-10-11-22-26(24,25)16-7-4-6-15(19)13-16;/h2-8,13,22H,9-12H2,1H3,(H,20,21);1H
InChIKeyVQKVNGKFEWGAPE-UHFFFAOYSA-N
XLogP2.87
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.82
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2,3-dihydroindole-1-carboximidamide
CID 110983518
3-chloro-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide
CID 110370807
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111210097
N-[3-(ethylsulfonylamino)propyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984215
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N'-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide
CID 109442581
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111735846
N'-methyl-N-pentyl-2,3-dihydroindole-1-carboximidamide
CID 110984242
N'-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984645
3-chloro-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 110370874
N-[2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]ethyl]-3-methylbenzamide
CID 110985230
N-[2-[di(propan-2-yl)amino]ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984324
N-[2-(diethylamino)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984243

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The IUPAC name of N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide (CID 110983775) is N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide is C/N=C(\NCCNS(=O)(=O)c1cccc(Cl)c1)N1CCc2ccccc21.I.
What is the InChIKey of N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The InChIKey is VQKVNGKFEWGAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2S.HI/c1-20-18(23-12-9-14-5-2-3-8-17(14)23)21-10-11-22-26(24,25)16-7-4-6-15(19)13-16;/h2-8,13,22H,9-12H2,1H3,(H,20,21);1H.
What are the key properties of N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide?
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide has a molecular weight of 520.82 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110983775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).