(2R)-N-(3-bromophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide

C18H19BrN2O3S — CID 92670961

IUPAC(2R)-N-(3-bromophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
SMILESCCS(=O)(=O)N1c2ccc(C(=O)Nc3cccc(Br)c3)cc2C[C@H]1C
InChIInChI=1S/C18H19BrN2O3S/c1-3-25(23,24)21-12(2)9-14-10-13(7-8-17(14)21)18(22)20-16-6-4-5-15(19)11-16/h4-8,10-12H,3,9H2,1-2H3,(H,20,22)/t12-/m1/s1
InChIKeyVFUXBFYXFXBYPS-GFCCVEGCSA-N
MW423.33 g/mol
LogP3.80
Rot. Bonds4

About (2R)-N-(3-bromophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide

(2R)-N-(3-bromophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide (PubChem CID 92670961) has the molecular formula C18H19BrN2O3S and a molecular weight of 423.33 g/mol. Its IUPAC name is (2R)-N-(3-bromophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-bromophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
PubChem CID92670961
Molecular FormulaC18H19BrN2O3S
Molecular Weight423.33 g/mol
Exact Mass422.03
IUPAC Name(2R)-N-(3-bromophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
SMILESCCS(=O)(=O)N1c2ccc(C(=O)Nc3cccc(Br)c3)cc2C[C@H]1C
InChIInChI=1S/C18H19BrN2O3S/c1-3-25(23,24)21-12(2)9-14-10-13(7-8-17(14)21)18(22)20-16-6-4-5-15(19)11-16/h4-8,10-12H,3,9H2,1-2H3,(H,20,22)/t12-/m1/s1
InChIKeyVFUXBFYXFXBYPS-GFCCVEGCSA-N
XLogP3.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.33
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-ethylsulfonyl-2-methyl-N-(3-nitrophenyl)-2,3-dihydroindole-5-carboxamide
CID 92671015
(2R)-N-(4-acetamidophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671018
(2R)-N-(3-bromophenyl)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671170
(2R)-N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92670770
(2S)-N-(3,5-dichlorophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92670982
(2R)-N-(3-acetylphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 41452658
(2S)-N-(3-ethylphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 7603095
2-methyl-1-methylsulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide
CID 17018183
(2R)-N-butyl-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92670891
(2R)-N-benzhydryl-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671081
(2S)-1-ethylsulfonyl-2-methyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide
CID 92671060
(2S)-N-(3-acetylphenyl)-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92670819

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-bromophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of (2R)-N-(3-bromophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide (CID 92670961) is (2R)-N-(3-bromophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for (2R)-N-(3-bromophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for (2R)-N-(3-bromophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide is CCS(=O)(=O)N1c2ccc(C(=O)Nc3cccc(Br)c3)cc2C[C@H]1C.
What is the InChIKey of (2R)-N-(3-bromophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is VFUXBFYXFXBYPS-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19BrN2O3S/c1-3-25(23,24)21-12(2)9-14-10-13(7-8-17(14)21)18(22)20-16-6-4-5-15(19)11-16/h4-8,10-12H,3,9H2,1-2H3,(H,20,22)/t12-/m1/s1.
What are the key properties of (2R)-N-(3-bromophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide?
(2R)-N-(3-bromophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 423.33 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-bromophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 92670961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).