1-[(2S)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-[dimethylsulfamoyl(methyl)amino]ethanone

C14H20BrN3O3S — CID 100784868

IUPAC1-[(2S)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-[dimethylsulfamoyl(methyl)amino]ethanone
SMILESC[C@H]1Cc2cc(Br)ccc2N1C(=O)CN(C)S(=O)(=O)N(C)C
InChIInChI=1S/C14H20BrN3O3S/c1-10-7-11-8-12(15)5-6-13(11)18(10)14(19)9-17(4)22(20,21)16(2)3/h5-6,8,10H,7,9H2,1-4H3/t10-/m0/s1
InChIKeySAMZAUXNKIYBQY-JTQLQIEISA-N
MW390.30 g/mol
LogP1.46
Rot. Bonds4

About 1-[(2S)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-[dimethylsulfamoyl(methyl)amino]ethanone

1-[(2S)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-[dimethylsulfamoyl(methyl)amino]ethanone (PubChem CID 100784868) has the molecular formula C14H20BrN3O3S and a molecular weight of 390.30 g/mol. Its IUPAC name is 1-[(2S)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-[dimethylsulfamoyl(methyl)amino]ethanone.

Molecular Properties

Compound Name1-[(2S)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-[dimethylsulfamoyl(methyl)amino]ethanone
PubChem CID100784868
Molecular FormulaC14H20BrN3O3S
Molecular Weight390.30 g/mol
Exact Mass389.04
IUPAC Name1-[(2S)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-[dimethylsulfamoyl(methyl)amino]ethanone
SMILESC[C@H]1Cc2cc(Br)ccc2N1C(=O)CN(C)S(=O)(=O)N(C)C
InChIInChI=1S/C14H20BrN3O3S/c1-10-7-11-8-12(15)5-6-13(11)18(10)14(19)9-17(4)22(20,21)16(2)3/h5-6,8,10H,7,9H2,1-4H3/t10-/m0/s1
InChIKeySAMZAUXNKIYBQY-JTQLQIEISA-N
XLogP1.46
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.30
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2S)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N,2,5-trimethylbenzenesulfonamide
CID 100780803
N-[2-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-ethylbenzenesulfonamide
CID 125049221
4-bromo-N-[2-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-cyclohexylbenzenesulfonamide
CID 100790806
N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-chloro-N-[(4-chlorophenyl)methyl]benzenesulfonamide
CID 133179804
1-[3-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione
CID 100772298
N-[2-[(2S)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 100789986
N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 133179670
N-[2-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-4-chloro-N-[(3,4-dichlorophenyl)methyl]benzenesulfonamide
CID 100790490
4-[3-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N,N-diethylbenzenesulfonamide
CID 133239352
N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-chloro-N-(2-phenylethyl)benzenesulfonamide
CID 133179694
N-[2-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-4-chloro-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 125063204
N-benzyl-N-[2-[(2S)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-4-ethoxybenzenesulfonamide
CID 100797676

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-[dimethylsulfamoyl(methyl)amino]ethanone?
The IUPAC name of 1-[(2S)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-[dimethylsulfamoyl(methyl)amino]ethanone (CID 100784868) is 1-[(2S)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-[dimethylsulfamoyl(methyl)amino]ethanone.
What is the SMILES notation for 1-[(2S)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-[dimethylsulfamoyl(methyl)amino]ethanone?
The canonical SMILES for 1-[(2S)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-[dimethylsulfamoyl(methyl)amino]ethanone is C[C@H]1Cc2cc(Br)ccc2N1C(=O)CN(C)S(=O)(=O)N(C)C.
What is the InChIKey of 1-[(2S)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-[dimethylsulfamoyl(methyl)amino]ethanone?
The InChIKey is SAMZAUXNKIYBQY-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20BrN3O3S/c1-10-7-11-8-12(15)5-6-13(11)18(10)14(19)9-17(4)22(20,21)16(2)3/h5-6,8,10H,7,9H2,1-4H3/t10-/m0/s1.
What are the key properties of 1-[(2S)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-[dimethylsulfamoyl(methyl)amino]ethanone?
1-[(2S)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-[dimethylsulfamoyl(methyl)amino]ethanone has a molecular weight of 390.30 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-[dimethylsulfamoyl(methyl)amino]ethanone is sourced from PubChem (CID 100784868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).