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

C17H25BrN2O3S — CID 3237215

IUPAC5-bromo-1-propanoyl-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1cc(Br)cc2c1N(C(=O)CC)CC2
InChIInChI=1S/C17H25BrN2O3S/c1-4-8-19(9-5-2)24(22,23)15-12-14(18)11-13-7-10-20(17(13)15)16(21)6-3/h11-12H,4-10H2,1-3H3
InChIKeyHGPMNDUVXYWELC-UHFFFAOYSA-N
MW417.37 g/mol
LogP3.56
Rot. Bonds7

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

5-bromo-1-propanoyl-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide (PubChem CID 3237215) has the molecular formula C17H25BrN2O3S and a molecular weight of 417.37 g/mol. Its IUPAC name is 5-bromo-1-propanoyl-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide.

Molecular Properties

Compound Name5-bromo-1-propanoyl-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide
PubChem CID3237215
Molecular FormulaC17H25BrN2O3S
Molecular Weight417.37 g/mol
Exact Mass416.08
IUPAC Name5-bromo-1-propanoyl-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1cc(Br)cc2c1N(C(=O)CC)CC2
InChIInChI=1S/C17H25BrN2O3S/c1-4-8-19(9-5-2)24(22,23)15-12-14(18)11-13-7-10-20(17(13)15)16(21)6-3/h11-12H,4-10H2,1-3H3
InChIKeyHGPMNDUVXYWELC-UHFFFAOYSA-N
XLogP3.56
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
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

Analyze 5-bromo-1-propanoyl-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-1-(cyclopropanecarbonyl)-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide
CID 4176326
1-acetyl-5-bromo-N,N-dibutyl-2,3-dihydroindole-7-sulfonamide
CID 3267786
5-bromo-1-(cyclopropanecarbonyl)-N,N-diethyl-2,3-dihydroindole-7-sulfonamide
CID 4571342
2-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl-(thiophen-2-ylmethyl)amino]acetate
CID 5095633
1-(5,7-dibromo-2,3-dihydroindol-1-yl)propan-1-one
CID 82490326
1-[5-bromo-7-(3,5-dimethylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]propan-1-one
CID 4276095
5-bromo-N-cyclohexyl-1-propanoyl-2,3-dihydroindole-7-sulfonamide
CID 2052773
5-bromo-N-(3,4-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-7-sulfonamide
CID 4290748
1-acetyl-5-bromo-2-methyl-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide
CID 4589801
1-[5-bromo-7-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]propan-1-one
CID 3324791
3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(2-methylphenyl)propanamide
CID 15987966
1-[7-(4-benzylpiperidin-1-yl)sulfonyl-5-bromo-2,3-dihydroindol-1-yl]propan-1-one
CID 22422219

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-propanoyl-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide?
The IUPAC name of 5-bromo-1-propanoyl-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide (CID 3237215) is 5-bromo-1-propanoyl-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide.
What is the SMILES notation for 5-bromo-1-propanoyl-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide?
The canonical SMILES for 5-bromo-1-propanoyl-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide is CCCN(CCC)S(=O)(=O)c1cc(Br)cc2c1N(C(=O)CC)CC2.
What is the InChIKey of 5-bromo-1-propanoyl-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide?
The InChIKey is HGPMNDUVXYWELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O3S/c1-4-8-19(9-5-2)24(22,23)15-12-14(18)11-13-7-10-20(17(13)15)16(21)6-3/h11-12H,4-10H2,1-3H3.
What are the key properties of 5-bromo-1-propanoyl-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide?
5-bromo-1-propanoyl-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide has a molecular weight of 417.37 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-propanoyl-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide is sourced from PubChem (CID 3237215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).