N-ethyl-N'-[(4-sulfamoylphenyl)methyl]-2,3-dihydroindole-1-carboximidamide

C18H22N4O2S — CID 110984032

IUPACN-ethyl-N'-[(4-sulfamoylphenyl)methyl]-2,3-dihydroindole-1-carboximidamide
SMILESCCN/C(=N\Cc1ccc(S(N)(=O)=O)cc1)N1CCc2ccccc21
InChIInChI=1S/C18H22N4O2S/c1-2-20-18(22-12-11-15-5-3-4-6-17(15)22)21-13-14-7-9-16(10-8-14)25(19,23)24/h3-10H,2,11-13H2,1H3,(H,20,21)(H2,19,23,24)
InChIKeyRXDASVQIUSLZEU-UHFFFAOYSA-N
MW358.47 g/mol
LogP1.86
Rot. Bonds4

About N-ethyl-N'-[(4-sulfamoylphenyl)methyl]-2,3-dihydroindole-1-carboximidamide

N-ethyl-N'-[(4-sulfamoylphenyl)methyl]-2,3-dihydroindole-1-carboximidamide (PubChem CID 110984032) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is N-ethyl-N'-[(4-sulfamoylphenyl)methyl]-2,3-dihydroindole-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[(4-sulfamoylphenyl)methyl]-2,3-dihydroindole-1-carboximidamide
PubChem CID110984032
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC NameN-ethyl-N'-[(4-sulfamoylphenyl)methyl]-2,3-dihydroindole-1-carboximidamide
SMILESCCN/C(=N\Cc1ccc(S(N)(=O)=O)cc1)N1CCc2ccccc21
InChIInChI=1S/C18H22N4O2S/c1-2-20-18(22-12-11-15-5-3-4-6-17(15)22)21-13-14-7-9-16(10-8-14)25(19,23)24/h3-10H,2,11-13H2,1H3,(H,20,21)(H2,19,23,24)
InChIKeyRXDASVQIUSLZEU-UHFFFAOYSA-N
XLogP1.86
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]methyl]-N-methylbenzamide
CID 110983328
N-(2-amino-2-oxoethyl)-4-[[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]methyl]benzamide;hydroiodide
CID 110983335
N-ethyl-N'-[(3-hydroxy-4-methoxyphenyl)methyl]-2,3-dihydroindole-1-carboximidamide
CID 110983454
N-ethyl-N'-(2-methylsulfonylethyl)-2,3-dihydroindole-1-carboximidamide
CID 110983994
4-acetyl-N-ethyl-N'-[(4-sulfamoylphenyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 110962972
N-ethyl-4-(2-methoxyphenyl)-N'-[(4-sulfamoylphenyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111132918
N-ethyl-N'-[3-(methanesulfonamido)propyl]-2,3-dihydroindole-1-carboximidamide
CID 110983998
N-ethyl-N'-(furan-2-ylmethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984233
N-ethyl-N'-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2,3-dihydroindole-1-carboximidamide
CID 119116530
N-ethyl-3,3-dimethyl-N'-[(4-sulfamoylphenyl)methyl]pyrrolidine-1-carboximidamide
CID 111739334
N'-(cyclopropylmethyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110985097
N-ethyl-N'-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide
CID 110983388

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[(4-sulfamoylphenyl)methyl]-2,3-dihydroindole-1-carboximidamide?
The IUPAC name of N-ethyl-N'-[(4-sulfamoylphenyl)methyl]-2,3-dihydroindole-1-carboximidamide (CID 110984032) is N-ethyl-N'-[(4-sulfamoylphenyl)methyl]-2,3-dihydroindole-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[(4-sulfamoylphenyl)methyl]-2,3-dihydroindole-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-[(4-sulfamoylphenyl)methyl]-2,3-dihydroindole-1-carboximidamide is CCN/C(=N\Cc1ccc(S(N)(=O)=O)cc1)N1CCc2ccccc21.
What is the InChIKey of N-ethyl-N'-[(4-sulfamoylphenyl)methyl]-2,3-dihydroindole-1-carboximidamide?
The InChIKey is RXDASVQIUSLZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-2-20-18(22-12-11-15-5-3-4-6-17(15)22)21-13-14-7-9-16(10-8-14)25(19,23)24/h3-10H,2,11-13H2,1H3,(H,20,21)(H2,19,23,24).
What are the key properties of N-ethyl-N'-[(4-sulfamoylphenyl)methyl]-2,3-dihydroindole-1-carboximidamide?
N-ethyl-N'-[(4-sulfamoylphenyl)methyl]-2,3-dihydroindole-1-carboximidamide has a molecular weight of 358.47 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(4-sulfamoylphenyl)methyl]-2,3-dihydroindole-1-carboximidamide is sourced from PubChem (CID 110984032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).