3-[[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindol-7-yl]sulfonyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

C23H23BrN2O6S — CID 15995295

IUPAC3-[[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindol-7-yl]sulfonyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
SMILESO=C(CCS(=O)(=O)c1cc(Br)cc2c1N(C(=O)C1CC1)CC2)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C23H23BrN2O6S/c24-16-11-15-5-7-26(23(28)14-1-2-14)22(15)20(12-16)33(29,30)10-6-21(27)25-17-3-4-18-19(13-17)32-9-8-31-18/h3-4,11-14H,1-2,5-10H2,(H,25,27)
InChIKeyBBWRRYKQUCFVOG-UHFFFAOYSA-N
MW535.42 g/mol
LogP3.32
Rot. Bonds6

About 3-[[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindol-7-yl]sulfonyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

3-[[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindol-7-yl]sulfonyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide (PubChem CID 15995295) has the molecular formula C23H23BrN2O6S and a molecular weight of 535.42 g/mol. Its IUPAC name is 3-[[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindol-7-yl]sulfonyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide.

Molecular Properties

Compound Name3-[[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindol-7-yl]sulfonyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
PubChem CID15995295
Molecular FormulaC23H23BrN2O6S
Molecular Weight535.42 g/mol
Exact Mass534.05
IUPAC Name3-[[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindol-7-yl]sulfonyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
SMILESO=C(CCS(=O)(=O)c1cc(Br)cc2c1N(C(=O)C1CC1)CC2)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C23H23BrN2O6S/c24-16-11-15-5-7-26(23(28)14-1-2-14)22(15)20(12-16)33(29,30)10-6-21(27)25-17-3-4-18-19(13-17)32-9-8-31-18/h3-4,11-14H,1-2,5-10H2,(H,25,27)
InChIKeyBBWRRYKQUCFVOG-UHFFFAOYSA-N
XLogP3.32
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindol-7-yl]sulfonyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide 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

3-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-N-(4-methoxyphenyl)propanamide
CID 15993238
3-[[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindol-7-yl]sulfonyl]-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 4141037
3-[[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]sulfonyl]-N-(3-methylphenyl)propanamide
CID 46248595
3-[[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindol-7-yl]sulfonyl]-N-(2,4-dimethoxyphenyl)-N-methylpropanamide
CID 4175791
5-bromo-1-(cyclopropanecarbonyl)-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide
CID 4176326
3-[[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindol-7-yl]sulfonyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 15989963
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylpiperazin-1-yl)sulfonylpropanamide
CID 110343242
5-bromo-1-(cyclopropanecarbonyl)-N,N-diethyl-2,3-dihydroindole-7-sulfonamide
CID 4571342
3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(2-methylphenyl)propanamide
CID 15987966
3-[[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]sulfonyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
CID 46248503
3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 98186397
3-(benzenesulfonyl)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]propanamide
CID 110303825

Frequently Asked Questions

What is the IUPAC name of 3-[[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindol-7-yl]sulfonyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The IUPAC name of 3-[[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindol-7-yl]sulfonyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide (CID 15995295) is 3-[[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindol-7-yl]sulfonyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide.
What is the SMILES notation for 3-[[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindol-7-yl]sulfonyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The canonical SMILES for 3-[[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindol-7-yl]sulfonyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide is O=C(CCS(=O)(=O)c1cc(Br)cc2c1N(C(=O)C1CC1)CC2)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 3-[[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindol-7-yl]sulfonyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The InChIKey is BBWRRYKQUCFVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN2O6S/c24-16-11-15-5-7-26(23(28)14-1-2-14)22(15)20(12-16)33(29,30)10-6-21(27)25-17-3-4-18-19(13-17)32-9-8-31-18/h3-4,11-14H,1-2,5-10H2,(H,25,27).
What are the key properties of 3-[[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindol-7-yl]sulfonyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
3-[[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindol-7-yl]sulfonyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide has a molecular weight of 535.42 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindol-7-yl]sulfonyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide is sourced from PubChem (CID 15995295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).