N-[2-[(2S)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N,2,5-trimethylbenzenesulfonamide

C20H23BrN2O3S — CID 100780803

IUPACN-[2-[(2S)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N,2,5-trimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N(C)CC(=O)N2c3ccc(Br)cc3C[C@@H]2C)c1
InChIInChI=1S/C20H23BrN2O3S/c1-13-5-6-14(2)19(9-13)27(25,26)22(4)12-20(24)23-15(3)10-16-11-17(21)7-8-18(16)23/h5-9,11,15H,10,12H2,1-4H3/t15-/m0/s1
InChIKeyHRCGFMTUAOWFCT-HNNXBMFYSA-N
MW451.39 g/mol
LogP3.66
Rot. Bonds4

About N-[2-[(2S)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N,2,5-trimethylbenzenesulfonamide

N-[2-[(2S)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N,2,5-trimethylbenzenesulfonamide (PubChem CID 100780803) has the molecular formula C20H23BrN2O3S and a molecular weight of 451.39 g/mol. Its IUPAC name is N-[2-[(2S)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N,2,5-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(2S)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N,2,5-trimethylbenzenesulfonamide
PubChem CID100780803
Molecular FormulaC20H23BrN2O3S
Molecular Weight451.39 g/mol
Exact Mass450.06
IUPAC NameN-[2-[(2S)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N,2,5-trimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N(C)CC(=O)N2c3ccc(Br)cc3C[C@@H]2C)c1
InChIInChI=1S/C20H23BrN2O3S/c1-13-5-6-14(2)19(9-13)27(25,26)22(4)12-20(24)23-15(3)10-16-11-17(21)7-8-18(16)23/h5-9,11,15H,10,12H2,1-4H3/t15-/m0/s1
InChIKeyHRCGFMTUAOWFCT-HNNXBMFYSA-N
XLogP3.66
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.39
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-[dimethylsulfamoyl(methyl)amino]ethanone
CID 100784868
N-benzyl-N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 133180007
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]-N-ethylbenzenesulfonamide
CID 125049221
2,5-dimethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(2-phenylethyl)benzenesulfonamide
CID 133255066
N-(4-bromo-2-methylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 26943608
4-bromo-N-[2-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-cyclohexylbenzenesulfonamide
CID 100790806
2-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-(2,5-dimethylphenyl)acetamide
CID 41051668
N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-chloro-N-[(4-chlorophenyl)methyl]benzenesulfonamide
CID 133179804
N-[2-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-4-chloro-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 125063204
N-[2-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-[(2-chloro-6-fluorophenyl)methyl]-4-methylbenzenesulfonamide
CID 125061901

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N,2,5-trimethylbenzenesulfonamide?
The IUPAC name of N-[2-[(2S)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N,2,5-trimethylbenzenesulfonamide (CID 100780803) is N-[2-[(2S)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N,2,5-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-[(2S)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N,2,5-trimethylbenzenesulfonamide?
The canonical SMILES for N-[2-[(2S)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N,2,5-trimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)N(C)CC(=O)N2c3ccc(Br)cc3C[C@@H]2C)c1.
What is the InChIKey of N-[2-[(2S)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N,2,5-trimethylbenzenesulfonamide?
The InChIKey is HRCGFMTUAOWFCT-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23BrN2O3S/c1-13-5-6-14(2)19(9-13)27(25,26)22(4)12-20(24)23-15(3)10-16-11-17(21)7-8-18(16)23/h5-9,11,15H,10,12H2,1-4H3/t15-/m0/s1.
What are the key properties of N-[2-[(2S)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N,2,5-trimethylbenzenesulfonamide?
N-[2-[(2S)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N,2,5-trimethylbenzenesulfonamide has a molecular weight of 451.39 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N,2,5-trimethylbenzenesulfonamide is sourced from PubChem (CID 100780803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).