5-bromo-1-(cyclopropanecarbonyl)-N-(4-fluorophenyl)-2,3-dihydroindole-6-sulfonamide

C18H16BrFN2O3S — CID 46505043

IUPAC5-bromo-1-(cyclopropanecarbonyl)-N-(4-fluorophenyl)-2,3-dihydroindole-6-sulfonamide
SMILESO=C(C1CC1)N1CCc2cc(Br)c(S(=O)(=O)Nc3ccc(F)cc3)cc21
InChIInChI=1S/C18H16BrFN2O3S/c19-15-9-12-7-8-22(18(23)11-1-2-11)16(12)10-17(15)26(24,25)21-14-5-3-13(20)4-6-14/h3-6,9-11,21H,1-2,7-8H2
InChIKeyUMCNERZDIFHJAG-UHFFFAOYSA-N
MW439.31 g/mol
LogP3.69
Rot. Bonds4

About 5-bromo-1-(cyclopropanecarbonyl)-N-(4-fluorophenyl)-2,3-dihydroindole-6-sulfonamide

5-bromo-1-(cyclopropanecarbonyl)-N-(4-fluorophenyl)-2,3-dihydroindole-6-sulfonamide (PubChem CID 46505043) has the molecular formula C18H16BrFN2O3S and a molecular weight of 439.31 g/mol. Its IUPAC name is 5-bromo-1-(cyclopropanecarbonyl)-N-(4-fluorophenyl)-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name5-bromo-1-(cyclopropanecarbonyl)-N-(4-fluorophenyl)-2,3-dihydroindole-6-sulfonamide
PubChem CID46505043
Molecular FormulaC18H16BrFN2O3S
Molecular Weight439.31 g/mol
Exact Mass438.00
IUPAC Name5-bromo-1-(cyclopropanecarbonyl)-N-(4-fluorophenyl)-2,3-dihydroindole-6-sulfonamide
SMILESO=C(C1CC1)N1CCc2cc(Br)c(S(=O)(=O)Nc3ccc(F)cc3)cc21
InChIInChI=1S/C18H16BrFN2O3S/c19-15-9-12-7-8-22(18(23)11-1-2-11)16(12)10-17(15)26(24,25)21-14-5-3-13(20)4-6-14/h3-6,9-11,21H,1-2,7-8H2
InChIKeyUMCNERZDIFHJAG-UHFFFAOYSA-N
XLogP3.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.31
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(cyclopropanecarbonyl)-N-(4-fluorophenyl)-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of 5-bromo-1-(cyclopropanecarbonyl)-N-(4-fluorophenyl)-2,3-dihydroindole-6-sulfonamide (CID 46505043) is 5-bromo-1-(cyclopropanecarbonyl)-N-(4-fluorophenyl)-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for 5-bromo-1-(cyclopropanecarbonyl)-N-(4-fluorophenyl)-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for 5-bromo-1-(cyclopropanecarbonyl)-N-(4-fluorophenyl)-2,3-dihydroindole-6-sulfonamide is O=C(C1CC1)N1CCc2cc(Br)c(S(=O)(=O)Nc3ccc(F)cc3)cc21.
What is the InChIKey of 5-bromo-1-(cyclopropanecarbonyl)-N-(4-fluorophenyl)-2,3-dihydroindole-6-sulfonamide?
The InChIKey is UMCNERZDIFHJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrFN2O3S/c19-15-9-12-7-8-22(18(23)11-1-2-11)16(12)10-17(15)26(24,25)21-14-5-3-13(20)4-6-14/h3-6,9-11,21H,1-2,7-8H2.
What are the key properties of 5-bromo-1-(cyclopropanecarbonyl)-N-(4-fluorophenyl)-2,3-dihydroindole-6-sulfonamide?
5-bromo-1-(cyclopropanecarbonyl)-N-(4-fluorophenyl)-2,3-dihydroindole-6-sulfonamide has a molecular weight of 439.31 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(cyclopropanecarbonyl)-N-(4-fluorophenyl)-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 46505043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).