5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide

C15H15BrN2O3S2 — CID 3238258

IUPAC5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide
SMILESCN(CC(=O)N1CCc2ccccc21)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C15H15BrN2O3S2/c1-17(23(20,21)15-7-6-13(16)22-15)10-14(19)18-9-8-11-4-2-3-5-12(11)18/h2-7H,8-10H2,1H3
InChIKeyCHVHRZFXPOOKIM-UHFFFAOYSA-N
MW415.33 g/mol
LogP2.72
Rot. Bonds4

About 5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide

5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide (PubChem CID 3238258) has the molecular formula C15H15BrN2O3S2 and a molecular weight of 415.33 g/mol. Its IUPAC name is 5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide
PubChem CID3238258
Molecular FormulaC15H15BrN2O3S2
Molecular Weight415.33 g/mol
Exact Mass413.97
IUPAC Name5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide
SMILESCN(CC(=O)N1CCc2ccccc21)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C15H15BrN2O3S2/c1-17(23(20,21)15-7-6-13(16)22-15)10-14(19)18-9-8-11-4-2-3-5-12(11)18/h2-7H,8-10H2,1H3
InChIKeyCHVHRZFXPOOKIM-UHFFFAOYSA-N
XLogP2.72
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.33
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-{2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl}thiophene-2-sulfonamide
CID 3239931
N-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide
CID 3245390
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(4-methylphenyl)thiophene-2-sulfonamide
CID 9551222
1-{3-[(5-Bromothien-2-yl)sulfonyl]propanoyl}indoline
CID 3238964
N-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-2-thiophenesulfonamide
CID 1277401
2-Methyl-1-[3-(thien-2-ylsulfonyl)propanoyl]indoline
CID 3237981
2-{4-[(5-bromothien-2-yl)sulfonyl]-1,4-diazepan-1-yl}-N-(3-methylphenyl)acetamide
CID 3242064
1-({1-[(5-Bromothien-2-yl)sulfonyl]piperidin-4-yl}carbonyl)indoline
CID 3243865
2-{4-[(5-Bromothiophen-2-YL)sulfonyl]-1,4-diazepan-1-YL}-N-(4-methylphenyl)acetamide
CID 9550340
N-(3-Fluoro-4-methylphenyl)-2-(N-methyl5-bromothiophene-2-sulfonamido)acetamide
CID 9551094
N-[(1-Acetyl-2,3-dihydro-1H-indol-5-YL)methyl]-5-bromothiophene-2-sulfonamide
CID 16030870
5-Bromo-N-[(1-propanoyl-2,3-dihydro-1H-indol-5-YL)methyl]thiophene-2-sulfonamide
CID 16030894

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide (CID 3238258) is 5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide is CN(CC(=O)N1CCc2ccccc21)S(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide?
The InChIKey is CHVHRZFXPOOKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3S2/c1-17(23(20,21)15-7-6-13(16)22-15)10-14(19)18-9-8-11-4-2-3-5-12(11)18/h2-7H,8-10H2,1H3.
What are the key properties of 5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide?
5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide has a molecular weight of 415.33 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 3238258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).