N-[(4-imidazol-1-ylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide

C21H22N4O3S — CID 100502862

IUPACN-[(4-imidazol-1-ylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
SMILESCCC(=O)N1CCc2cc(S(=O)(=O)NCc3ccc(-n4ccnc4)cc3)ccc21
InChIInChI=1S/C21H22N4O3S/c1-2-21(26)25-11-9-17-13-19(7-8-20(17)25)29(27,28)23-14-16-3-5-18(6-4-16)24-12-10-22-15-24/h3-8,10,12-13,15,23H,2,9,11,14H2,1H3
InChIKeyXXGBLJHKGRLBSS-UHFFFAOYSA-N
MW410.50 g/mol
LogP2.65
Rot. Bonds6

About N-[(4-imidazol-1-ylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide

N-[(4-imidazol-1-ylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 100502862) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-[(4-imidazol-1-ylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-[(4-imidazol-1-ylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
PubChem CID100502862
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC NameN-[(4-imidazol-1-ylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
SMILESCCC(=O)N1CCc2cc(S(=O)(=O)NCc3ccc(-n4ccnc4)cc3)ccc21
InChIInChI=1S/C21H22N4O3S/c1-2-21(26)25-11-9-17-13-19(7-8-20(17)25)29(27,28)23-14-16-3-5-18(6-4-16)24-12-10-22-15-24/h3-8,10,12-13,15,23H,2,9,11,14H2,1H3
InChIKeyXXGBLJHKGRLBSS-UHFFFAOYSA-N
XLogP2.65
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethyl-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzenesulfonamide
CID 53092481
4-methoxy-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzenesulfonamide
CID 53092470
5-[5-[(4-methylphenyl)methylsulfamoyl]-2,3-dihydroindol-1-yl]-5-oxopentanoic acid
CID 4120901
N-methyl-5-[(4-methylphenyl)methylsulfamoyl]-2,3-dihydroindole-1-carboxamide
CID 53059177
methyl 3-[(4-imidazol-1-ylphenyl)methylsulfamoyl]benzoate
CID 95176031
1-acetyl-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 3640433
N-[(4-methylphenyl)methyl]-1-(4-oxo-4-piperidin-1-ylbutanoyl)-2,3-dihydroindole-5-sulfonamide
CID 53025447
N-[(2-ethoxyphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 100505396
N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]propane-1-sulfonamide
CID 53092468
1-[6-[(4-imidazol-1-ylphenyl)methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 75385310
1-acetyl-N-(3-imidazol-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 53278342
N-[(4-chlorophenyl)methyl]-1-(4-oxo-4-pyrrolidin-1-ylbutanoyl)-2,3-dihydroindole-5-sulfonamide
CID 53030615

Frequently Asked Questions

What is the IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide (CID 100502862) is N-[(4-imidazol-1-ylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-[(4-imidazol-1-ylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-[(4-imidazol-1-ylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide is CCC(=O)N1CCc2cc(S(=O)(=O)NCc3ccc(-n4ccnc4)cc3)ccc21.
What is the InChIKey of N-[(4-imidazol-1-ylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is XXGBLJHKGRLBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-2-21(26)25-11-9-17-13-19(7-8-20(17)25)29(27,28)23-14-16-3-5-18(6-4-16)24-12-10-22-15-24/h3-8,10,12-13,15,23H,2,9,11,14H2,1H3.
What are the key properties of N-[(4-imidazol-1-ylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
N-[(4-imidazol-1-ylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 410.50 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-imidazol-1-ylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 100502862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).