5-bromo-1-(cyclopropanecarbonyl)-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide

C18H25BrN2O3S — CID 4176326

IUPAC5-bromo-1-(cyclopropanecarbonyl)-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1cc(Br)cc2c1N(C(=O)C1CC1)CC2
InChIInChI=1S/C18H25BrN2O3S/c1-3-8-20(9-4-2)25(23,24)16-12-15(19)11-14-7-10-21(17(14)16)18(22)13-5-6-13/h11-13H,3-10H2,1-2H3
InChIKeyFEGZMVOGUHZUFN-UHFFFAOYSA-N
MW429.38 g/mol
LogP3.56
Rot. Bonds7

About 5-bromo-1-(cyclopropanecarbonyl)-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide

5-bromo-1-(cyclopropanecarbonyl)-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide (PubChem CID 4176326) has the molecular formula C18H25BrN2O3S and a molecular weight of 429.38 g/mol. Its IUPAC name is 5-bromo-1-(cyclopropanecarbonyl)-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide.

Molecular Properties

Compound Name5-bromo-1-(cyclopropanecarbonyl)-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide
PubChem CID4176326
Molecular FormulaC18H25BrN2O3S
Molecular Weight429.38 g/mol
Exact Mass428.08
IUPAC Name5-bromo-1-(cyclopropanecarbonyl)-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1cc(Br)cc2c1N(C(=O)C1CC1)CC2
InChIInChI=1S/C18H25BrN2O3S/c1-3-8-20(9-4-2)25(23,24)16-12-15(19)11-14-7-10-21(17(14)16)18(22)13-5-6-13/h11-13H,3-10H2,1-2H3
InChIKeyFEGZMVOGUHZUFN-UHFFFAOYSA-N
XLogP3.56
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.38
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1-(cyclopropanecarbonyl)-N,N-diethyl-2,3-dihydroindole-7-sulfonamide
CID 4571342
5-bromo-1-propanoyl-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide
CID 3237215
1-acetyl-5-bromo-N,N-dibutyl-2,3-dihydroindole-7-sulfonamide
CID 3267786
5-bromo-1-(cyclopropanecarbonyl)-N-[(4-methylphenyl)methyl]-2,3-dihydroindole-7-sulfonamide
CID 15987799
1-acetyl-5-bromo-2-methyl-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide
CID 4589801
3-[[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindol-7-yl]sulfonyl]-N-(2,4-dimethoxyphenyl)-N-methylpropanamide
CID 4175791
5-bromo-1-(cyclopropanecarbonyl)-N-(furan-2-ylmethyl)-2,3-dihydroindole-7-sulfonamide
CID 3243098
3-[[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindol-7-yl]sulfonyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 15995295
3-[[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindol-7-yl]sulfonyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 15989963
N-(1-benzylpiperidin-4-yl)-5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindole-7-sulfonamide
CID 15993844
3-[[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindol-7-yl]sulfonyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 4228663
5-bromo-N-cyclohexyl-1-propanoyl-2,3-dihydroindole-7-sulfonamide
CID 2052773

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(cyclopropanecarbonyl)-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide?
The IUPAC name of 5-bromo-1-(cyclopropanecarbonyl)-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide (CID 4176326) is 5-bromo-1-(cyclopropanecarbonyl)-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide.
What is the SMILES notation for 5-bromo-1-(cyclopropanecarbonyl)-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide?
The canonical SMILES for 5-bromo-1-(cyclopropanecarbonyl)-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide is CCCN(CCC)S(=O)(=O)c1cc(Br)cc2c1N(C(=O)C1CC1)CC2.
What is the InChIKey of 5-bromo-1-(cyclopropanecarbonyl)-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide?
The InChIKey is FEGZMVOGUHZUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrN2O3S/c1-3-8-20(9-4-2)25(23,24)16-12-15(19)11-14-7-10-21(17(14)16)18(22)13-5-6-13/h11-13H,3-10H2,1-2H3.
What are the key properties of 5-bromo-1-(cyclopropanecarbonyl)-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide?
5-bromo-1-(cyclopropanecarbonyl)-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide has a molecular weight of 429.38 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-(cyclopropanecarbonyl)-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide is sourced from PubChem (CID 4176326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).