5-bromo-N-[2-(dimethylamino)ethyl]-N-ethyl-1-propanoyl-2,3-dihydroindole-6-sulfonamide

C17H26BrN3O3S — CID 46504823

IUPAC5-bromo-N-[2-(dimethylamino)ethyl]-N-ethyl-1-propanoyl-2,3-dihydroindole-6-sulfonamide
SMILESCCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N(CC)CCN(C)C)cc21
InChIInChI=1S/C17H26BrN3O3S/c1-5-17(22)21-8-7-13-11-14(18)16(12-15(13)21)25(23,24)20(6-2)10-9-19(3)4/h11-12H,5-10H2,1-4H3
InChIKeyUDCLYBYRUQBJIJ-UHFFFAOYSA-N
MW432.38 g/mol
LogP2.32
Rot. Bonds7

About 5-bromo-N-[2-(dimethylamino)ethyl]-N-ethyl-1-propanoyl-2,3-dihydroindole-6-sulfonamide

5-bromo-N-[2-(dimethylamino)ethyl]-N-ethyl-1-propanoyl-2,3-dihydroindole-6-sulfonamide (PubChem CID 46504823) has the molecular formula C17H26BrN3O3S and a molecular weight of 432.38 g/mol. Its IUPAC name is 5-bromo-N-[2-(dimethylamino)ethyl]-N-ethyl-1-propanoyl-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-(dimethylamino)ethyl]-N-ethyl-1-propanoyl-2,3-dihydroindole-6-sulfonamide
PubChem CID46504823
Molecular FormulaC17H26BrN3O3S
Molecular Weight432.38 g/mol
Exact Mass431.09
IUPAC Name5-bromo-N-[2-(dimethylamino)ethyl]-N-ethyl-1-propanoyl-2,3-dihydroindole-6-sulfonamide
SMILESCCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N(CC)CCN(C)C)cc21
InChIInChI=1S/C17H26BrN3O3S/c1-5-17(22)21-8-7-13-11-14(18)16(12-15(13)21)25(23,24)20(6-2)10-9-19(3)4/h11-12H,5-10H2,1-4H3
InChIKeyUDCLYBYRUQBJIJ-UHFFFAOYSA-N
XLogP2.32
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.38
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-5-bromo-N-ethyl-1-propanoyl-2,3-dihydroindole-6-sulfonamide
CID 46504855
3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N,N-diethylpropanamide
CID 46506133
N-benzhydryl-5-bromo-1-propanoyl-2,3-dihydroindole-6-sulfonamide
CID 46504909
5-bromo-1-propanoyl-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide
CID 3237215
3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-[2-(N-ethylanilino)ethyl]propanamide
CID 46374671
1-[5-bromo-6-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]propan-1-one
CID 46504811
1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonamide
CID 55151149
ethyl 3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonylamino]benzoate
CID 46504892
1-[5-bromo-6-[(3S)-3-methyl-4-(4-methylphenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]propan-1-one
CID 100846232
(3S)-1-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-ethyl-N-(4-fluorophenyl)piperidine-3-carboxamide
CID 98371978
1-[2-(4-bromophenyl)acetyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 26765097
1-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-cyclohexylpiperidine-3-carboxamide
CID 46247272

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(dimethylamino)ethyl]-N-ethyl-1-propanoyl-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of 5-bromo-N-[2-(dimethylamino)ethyl]-N-ethyl-1-propanoyl-2,3-dihydroindole-6-sulfonamide (CID 46504823) is 5-bromo-N-[2-(dimethylamino)ethyl]-N-ethyl-1-propanoyl-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for 5-bromo-N-[2-(dimethylamino)ethyl]-N-ethyl-1-propanoyl-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for 5-bromo-N-[2-(dimethylamino)ethyl]-N-ethyl-1-propanoyl-2,3-dihydroindole-6-sulfonamide is CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N(CC)CCN(C)C)cc21.
What is the InChIKey of 5-bromo-N-[2-(dimethylamino)ethyl]-N-ethyl-1-propanoyl-2,3-dihydroindole-6-sulfonamide?
The InChIKey is UDCLYBYRUQBJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN3O3S/c1-5-17(22)21-8-7-13-11-14(18)16(12-15(13)21)25(23,24)20(6-2)10-9-19(3)4/h11-12H,5-10H2,1-4H3.
What are the key properties of 5-bromo-N-[2-(dimethylamino)ethyl]-N-ethyl-1-propanoyl-2,3-dihydroindole-6-sulfonamide?
5-bromo-N-[2-(dimethylamino)ethyl]-N-ethyl-1-propanoyl-2,3-dihydroindole-6-sulfonamide has a molecular weight of 432.38 g/mol, XLogP of 2.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(dimethylamino)ethyl]-N-ethyl-1-propanoyl-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 46504823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).