3-(4-bromophenyl)sulfonyl-1-(2,3-dihydroindol-1-yl)propan-1-one

C17H16BrNO3S — CID 4087818

IUPAC3-(4-bromophenyl)sulfonyl-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESO=C(CCS(=O)(=O)c1ccc(Br)cc1)N1CCc2ccccc21
InChIInChI=1S/C17H16BrNO3S/c18-14-5-7-15(8-6-14)23(21,22)12-10-17(20)19-11-9-13-3-1-2-4-16(13)19/h1-8H,9-12H2
InChIKeySISZWBJXAVNPTL-UHFFFAOYSA-N
MW394.29 g/mol
LogP3.20
Rot. Bonds4

About 3-(4-bromophenyl)sulfonyl-1-(2,3-dihydroindol-1-yl)propan-1-one

3-(4-bromophenyl)sulfonyl-1-(2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 4087818) has the molecular formula C17H16BrNO3S and a molecular weight of 394.29 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfonyl-1-(2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfonyl-1-(2,3-dihydroindol-1-yl)propan-1-one
PubChem CID4087818
Molecular FormulaC17H16BrNO3S
Molecular Weight394.29 g/mol
Exact Mass393.00
IUPAC Name3-(4-bromophenyl)sulfonyl-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESO=C(CCS(=O)(=O)c1ccc(Br)cc1)N1CCc2ccccc21
InChIInChI=1S/C17H16BrNO3S/c18-14-5-7-15(8-6-14)23(21,22)12-10-17(20)19-11-9-13-3-1-2-4-16(13)19/h1-8H,9-12H2
InChIKeySISZWBJXAVNPTL-UHFFFAOYSA-N
XLogP3.20
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.29
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 741114
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)propan-1-one
CID 110342860
1-(2,3-dihydroindol-1-yl)-3-[(4-ethylsulfonylphenyl)methylsulfanyl]propan-1-one
CID 167981142
2-(2,3-dihydroindol-1-yl)-2-oxoethanesulfonyl chloride
CID 99980595
6-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]sulfonyl-2-ethyl-4H-1,4-benzothiazin-3-one
CID 20902901
1,3-bis(2,3-dihydroindol-1-yl)propan-1-one
CID 109034718
6-(2,3-dihydroindol-1-yl)-6-oxohexanoic acid
CID 22906002
3-(4-bromophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one
CID 15997972
N-[3-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide
CID 110417621
5-bromo-2-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]isoindole-1,3-dione
CID 30429389
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 15997280

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)sulfonyl-1-(2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of 3-(4-bromophenyl)sulfonyl-1-(2,3-dihydroindol-1-yl)propan-1-one (CID 4087818) is 3-(4-bromophenyl)sulfonyl-1-(2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for 3-(4-bromophenyl)sulfonyl-1-(2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for 3-(4-bromophenyl)sulfonyl-1-(2,3-dihydroindol-1-yl)propan-1-one is O=C(CCS(=O)(=O)c1ccc(Br)cc1)N1CCc2ccccc21.
What is the InChIKey of 3-(4-bromophenyl)sulfonyl-1-(2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is SISZWBJXAVNPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO3S/c18-14-5-7-15(8-6-14)23(21,22)12-10-17(20)19-11-9-13-3-1-2-4-16(13)19/h1-8H,9-12H2.
What are the key properties of 3-(4-bromophenyl)sulfonyl-1-(2,3-dihydroindol-1-yl)propan-1-one?
3-(4-bromophenyl)sulfonyl-1-(2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 394.29 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)sulfonyl-1-(2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 4087818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).