1-acetyl-5-bromo-2-methyl-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide

C17H25BrN2O3S — CID 4589801

IUPAC1-acetyl-5-bromo-2-methyl-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1cc(Br)cc2c1N(C(C)=O)C(C)C2
InChIInChI=1S/C17H25BrN2O3S/c1-5-7-19(8-6-2)24(22,23)16-11-15(18)10-14-9-12(3)20(13(4)21)17(14)16/h10-12H,5-9H2,1-4H3
InChIKeyATMLSUKTULJIGM-UHFFFAOYSA-N
MW417.37 g/mol
LogP3.56
Rot. Bonds6

About 1-acetyl-5-bromo-2-methyl-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide

1-acetyl-5-bromo-2-methyl-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide (PubChem CID 4589801) has the molecular formula C17H25BrN2O3S and a molecular weight of 417.37 g/mol. Its IUPAC name is 1-acetyl-5-bromo-2-methyl-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide.

Molecular Properties

Compound Name1-acetyl-5-bromo-2-methyl-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide
PubChem CID4589801
Molecular FormulaC17H25BrN2O3S
Molecular Weight417.37 g/mol
Exact Mass416.08
IUPAC Name1-acetyl-5-bromo-2-methyl-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1cc(Br)cc2c1N(C(C)=O)C(C)C2
InChIInChI=1S/C17H25BrN2O3S/c1-5-7-19(8-6-2)24(22,23)16-11-15(18)10-14-9-12(3)20(13(4)21)17(14)16/h10-12H,5-9H2,1-4H3
InChIKeyATMLSUKTULJIGM-UHFFFAOYSA-N
XLogP3.56
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.37
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-bromo-2-methyl-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide?
The IUPAC name of 1-acetyl-5-bromo-2-methyl-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide (CID 4589801) is 1-acetyl-5-bromo-2-methyl-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide.
What is the SMILES notation for 1-acetyl-5-bromo-2-methyl-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide?
The canonical SMILES for 1-acetyl-5-bromo-2-methyl-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide is CCCN(CCC)S(=O)(=O)c1cc(Br)cc2c1N(C(C)=O)C(C)C2.
What is the InChIKey of 1-acetyl-5-bromo-2-methyl-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide?
The InChIKey is ATMLSUKTULJIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O3S/c1-5-7-19(8-6-2)24(22,23)16-11-15(18)10-14-9-12(3)20(13(4)21)17(14)16/h10-12H,5-9H2,1-4H3.
What are the key properties of 1-acetyl-5-bromo-2-methyl-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide?
1-acetyl-5-bromo-2-methyl-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide has a molecular weight of 417.37 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-bromo-2-methyl-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide is sourced from PubChem (CID 4589801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).