2-(2,4-dibromophenoxy)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide

C22H18Br2N2O4S — CID 1013039

IUPAC2-(2,4-dibromophenoxy)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
SMILESO=C(COc1ccc(Br)cc1Br)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C22H18Br2N2O4S/c23-16-5-10-21(19(24)13-16)30-14-22(27)25-17-6-8-18(9-7-17)31(28,29)26-12-11-15-3-1-2-4-20(15)26/h1-10,13H,11-12,14H2,(H,25,27)
InChIKeyBFCZHHIXRQOTQV-UHFFFAOYSA-N
MW566.27 g/mol
LogP4.98
Rot. Bonds6

About 2-(2,4-dibromophenoxy)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide

2-(2,4-dibromophenoxy)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide (PubChem CID 1013039) has the molecular formula C22H18Br2N2O4S and a molecular weight of 566.27 g/mol. Its IUPAC name is 2-(2,4-dibromophenoxy)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dibromophenoxy)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
PubChem CID1013039
Molecular FormulaC22H18Br2N2O4S
Molecular Weight566.27 g/mol
Exact Mass563.94
IUPAC Name2-(2,4-dibromophenoxy)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
SMILESO=C(COc1ccc(Br)cc1Br)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C22H18Br2N2O4S/c23-16-5-10-21(19(24)13-16)30-14-22(27)25-17-6-8-18(9-7-17)31(28,29)26-12-11-15-3-1-2-4-20(15)26/h1-10,13H,11-12,14H2,(H,25,27)
InChIKeyBFCZHHIXRQOTQV-UHFFFAOYSA-N
XLogP4.98
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.27
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,4-dibromophenoxy)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide with MolForge

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Related Compounds

2-(4-bromo-2-methylphenoxy)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 3482740
2-(2-bromo-4-butan-2-ylphenoxy)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 17189506
2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-phenylacetamide
CID 4305979
2-(2,4-dichlorophenoxy)-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]acetamide
CID 17321201
2-(4-tert-butylphenoxy)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 1013636
N-(3-bromophenyl)-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetamide
CID 126394713
N-(4-acetamidophenyl)-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]acetamide
CID 126396063
methyl 2-[[2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]acetyl]amino]benzoate
CID 126396064
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 720099
2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-(2,6-diethylphenyl)acetamide
CID 126394310
2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-(4-iodophenyl)acetamide
CID 126392373
2-(4-bromo-2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 4922905

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenoxy)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide?
The IUPAC name of 2-(2,4-dibromophenoxy)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide (CID 1013039) is 2-(2,4-dibromophenoxy)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide.
What is the SMILES notation for 2-(2,4-dibromophenoxy)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide?
The canonical SMILES for 2-(2,4-dibromophenoxy)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide is O=C(COc1ccc(Br)cc1Br)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of 2-(2,4-dibromophenoxy)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide?
The InChIKey is BFCZHHIXRQOTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Br2N2O4S/c23-16-5-10-21(19(24)13-16)30-14-22(27)25-17-6-8-18(9-7-17)31(28,29)26-12-11-15-3-1-2-4-20(15)26/h1-10,13H,11-12,14H2,(H,25,27).
What are the key properties of 2-(2,4-dibromophenoxy)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide?
2-(2,4-dibromophenoxy)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide has a molecular weight of 566.27 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenoxy)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide is sourced from PubChem (CID 1013039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).