1-acetyl-5-bromo-2-methyl-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-7-sulfonamide

C17H18BrN3O3S — CID 3239864

IUPAC1-acetyl-5-bromo-2-methyl-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-7-sulfonamide
SMILESCC(=O)N1c2c(cc(Br)cc2S(=O)(=O)NCc2cccnc2)CC1C
InChIInChI=1S/C17H18BrN3O3S/c1-11-6-14-7-15(18)8-16(17(14)21(11)12(2)22)25(23,24)20-10-13-4-3-5-19-9-13/h3-5,7-9,11,20H,6,10H2,1-2H3
InChIKeyRBNCMKWTVZRIOB-UHFFFAOYSA-N
MW424.32 g/mol
LogP2.62
Rot. Bonds4

About 1-acetyl-5-bromo-2-methyl-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-7-sulfonamide

1-acetyl-5-bromo-2-methyl-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-7-sulfonamide (PubChem CID 3239864) has the molecular formula C17H18BrN3O3S and a molecular weight of 424.32 g/mol. Its IUPAC name is 1-acetyl-5-bromo-2-methyl-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-7-sulfonamide.

Molecular Properties

Compound Name1-acetyl-5-bromo-2-methyl-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-7-sulfonamide
PubChem CID3239864
Molecular FormulaC17H18BrN3O3S
Molecular Weight424.32 g/mol
Exact Mass423.03
IUPAC Name1-acetyl-5-bromo-2-methyl-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-7-sulfonamide
SMILESCC(=O)N1c2c(cc(Br)cc2S(=O)(=O)NCc2cccnc2)CC1C
InChIInChI=1S/C17H18BrN3O3S/c1-11-6-14-7-15(18)8-16(17(14)21(11)12(2)22)25(23,24)20-10-13-4-3-5-19-9-13/h3-5,7-9,11,20H,6,10H2,1-2H3
InChIKeyRBNCMKWTVZRIOB-UHFFFAOYSA-N
XLogP2.62
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-5-bromo-2-methyl-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide
CID 4589801
5-bromo-2-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 40665032
4-chloro-3-(pyridin-3-ylmethylsulfamoyl)benzoic acid
CID 2411456
2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 660168
1-acetyl-5-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-2,3-dihydroindole-7-sulfonamide
CID 4085374
5-bromo-2-propoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 27266270
1-acetyl-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 3640433
1-[5-bromo-7-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 15992585
5-amino-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 59436024
2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxo-N-(pyridin-3-ylmethyl)acetamide
CID 108506767
4-(aminomethyl)-2-bromo-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 106030727
5-(aminomethyl)-2-bromo-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 106030802

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-bromo-2-methyl-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-7-sulfonamide?
The IUPAC name of 1-acetyl-5-bromo-2-methyl-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-7-sulfonamide (CID 3239864) is 1-acetyl-5-bromo-2-methyl-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-7-sulfonamide.
What is the SMILES notation for 1-acetyl-5-bromo-2-methyl-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-7-sulfonamide?
The canonical SMILES for 1-acetyl-5-bromo-2-methyl-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-7-sulfonamide is CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)NCc2cccnc2)CC1C.
What is the InChIKey of 1-acetyl-5-bromo-2-methyl-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-7-sulfonamide?
The InChIKey is RBNCMKWTVZRIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O3S/c1-11-6-14-7-15(18)8-16(17(14)21(11)12(2)22)25(23,24)20-10-13-4-3-5-19-9-13/h3-5,7-9,11,20H,6,10H2,1-2H3.
What are the key properties of 1-acetyl-5-bromo-2-methyl-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-7-sulfonamide?
1-acetyl-5-bromo-2-methyl-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-7-sulfonamide has a molecular weight of 424.32 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-bromo-2-methyl-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-7-sulfonamide is sourced from PubChem (CID 3239864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).