2-(5-bromo-1H-indol-3-yl)-N-(4-methylphenyl)sulfonylacetamide

C17H15BrN2O3S — CID 134909149

IUPAC2-(5-bromo-1H-indol-3-yl)-N-(4-methylphenyl)sulfonylacetamide
SMILESCc1ccc(S(=O)(=O)NC(=O)Cc2c[nH]c3ccc(Br)cc23)cc1
InChIInChI=1S/C17H15BrN2O3S/c1-11-2-5-14(6-3-11)24(22,23)20-17(21)8-12-10-19-16-7-4-13(18)9-15(12)16/h2-7,9-10,19H,8H2,1H3,(H,20,21)
InChIKeyWGYJIBYALCYFLG-UHFFFAOYSA-N
MW407.29 g/mol
LogP3.29
Rot. Bonds4

About 2-(5-bromo-1H-indol-3-yl)-N-(4-methylphenyl)sulfonylacetamide

2-(5-bromo-1H-indol-3-yl)-N-(4-methylphenyl)sulfonylacetamide (PubChem CID 134909149) has the molecular formula C17H15BrN2O3S and a molecular weight of 407.29 g/mol. Its IUPAC name is 2-(5-bromo-1H-indol-3-yl)-N-(4-methylphenyl)sulfonylacetamide.

Molecular Properties

Compound Name2-(5-bromo-1H-indol-3-yl)-N-(4-methylphenyl)sulfonylacetamide
PubChem CID134909149
Molecular FormulaC17H15BrN2O3S
Molecular Weight407.29 g/mol
Exact Mass406.00
IUPAC Name2-(5-bromo-1H-indol-3-yl)-N-(4-methylphenyl)sulfonylacetamide
SMILESCc1ccc(S(=O)(=O)NC(=O)Cc2c[nH]c3ccc(Br)cc23)cc1
InChIInChI=1S/C17H15BrN2O3S/c1-11-2-5-14(6-3-11)24(22,23)20-17(21)8-12-10-19-16-7-4-13(18)9-15(12)16/h2-7,9-10,19H,8H2,1H3,(H,20,21)
InChIKeyWGYJIBYALCYFLG-UHFFFAOYSA-N
XLogP3.29
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.29
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-1H-indol-3-yl)-N-hydroxyacetamide
CID 11572551
N-(3-Bromo-2''-sulfamoyl-biphenyl-4-yl)-2-(5-carbamimidoyl-1H-indol-3-yl)-acetamide
CID 10481978
N-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-2-(5-bromo-1H-indol-3-yl)-acetamide
CID 11539744
3-(5-bromo-1H-indol-3-yl)pyrrolidine-2,5-dione
CID 15326268
4-[2-[(5-bromo-1H-indol-3-yl)methylideneamino]ethyl]benzenesulfonamide
CID 136998788
5-bromo-3-(propylsulfamoyl)-1H-indole-2-carboxamide
CID 15604702
5-bromo-N-(4-pyridylmethyl)-3-pyrrolidin-1-ylsulfonyl-1H-indole-2-carboxamide
CID 15605086
2,3-Dihydro-3-(1H-indol-3-ylmethylene)-2-oxo-1H-indole-5-sulfonamide
CID 22978714
(2R)-2-[2-[2-[4-(4-bromophenyl)phenyl]sulfonylhydrazinyl]-2-oxoethyl]-N-[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]-4-methylpentanamide
CID 25141117
4-[5-Bromo-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-indole-1-sulfonyl]-phenylamine
CID 44388944
2-(1H-indol-3-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 3661786
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-(1H-indol-3-yl)propanamide
CID 4333556

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1H-indol-3-yl)-N-(4-methylphenyl)sulfonylacetamide?
The IUPAC name of 2-(5-bromo-1H-indol-3-yl)-N-(4-methylphenyl)sulfonylacetamide (CID 134909149) is 2-(5-bromo-1H-indol-3-yl)-N-(4-methylphenyl)sulfonylacetamide.
What is the SMILES notation for 2-(5-bromo-1H-indol-3-yl)-N-(4-methylphenyl)sulfonylacetamide?
The canonical SMILES for 2-(5-bromo-1H-indol-3-yl)-N-(4-methylphenyl)sulfonylacetamide is Cc1ccc(S(=O)(=O)NC(=O)Cc2c[nH]c3ccc(Br)cc23)cc1.
What is the InChIKey of 2-(5-bromo-1H-indol-3-yl)-N-(4-methylphenyl)sulfonylacetamide?
The InChIKey is WGYJIBYALCYFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O3S/c1-11-2-5-14(6-3-11)24(22,23)20-17(21)8-12-10-19-16-7-4-13(18)9-15(12)16/h2-7,9-10,19H,8H2,1H3,(H,20,21).
What are the key properties of 2-(5-bromo-1H-indol-3-yl)-N-(4-methylphenyl)sulfonylacetamide?
2-(5-bromo-1H-indol-3-yl)-N-(4-methylphenyl)sulfonylacetamide has a molecular weight of 407.29 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1H-indol-3-yl)-N-(4-methylphenyl)sulfonylacetamide is sourced from PubChem (CID 134909149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).