N-[3-(5-bromo-2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]ethanesulfonamide

C18H19BrN2O3S — CID 133260892

IUPACN-[3-(5-bromo-2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(C(=O)N2c3ccc(Br)cc3CC2C)c1
InChIInChI=1S/C18H19BrN2O3S/c1-3-25(23,24)20-16-6-4-5-13(11-16)18(22)21-12(2)9-14-10-15(19)7-8-17(14)21/h4-8,10-12,20H,3,9H2,1-2H3
InChIKeyXGYIOQCYVYYGFC-UHFFFAOYSA-N
MW423.33 g/mol
LogP3.80
Rot. Bonds4

About N-[3-(5-bromo-2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]ethanesulfonamide

N-[3-(5-bromo-2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]ethanesulfonamide (PubChem CID 133260892) has the molecular formula C18H19BrN2O3S and a molecular weight of 423.33 g/mol. Its IUPAC name is N-[3-(5-bromo-2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(5-bromo-2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]ethanesulfonamide
PubChem CID133260892
Molecular FormulaC18H19BrN2O3S
Molecular Weight423.33 g/mol
Exact Mass422.03
IUPAC NameN-[3-(5-bromo-2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(C(=O)N2c3ccc(Br)cc3CC2C)c1
InChIInChI=1S/C18H19BrN2O3S/c1-3-25(23,24)20-16-6-4-5-13(11-16)18(22)21-12(2)9-14-10-15(19)7-8-17(14)21/h4-8,10-12,20H,3,9H2,1-2H3
InChIKeyXGYIOQCYVYYGFC-UHFFFAOYSA-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

3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-phenylbenzenesulfonamide
CID 19257347
N-ethyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 42940837
(2R)-N-(3-bromophenyl)-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92670961
[3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)methanone
CID 133239422
N-(3-acetylphenyl)-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide
CID 109057702
3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]benzamide
CID 51729442
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(3-hydroxyphenyl)methanone
CID 43550159
1-[(2S)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-[dimethylsulfamoyl(methyl)amino]ethanone
CID 100784868
N-[2-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-ethylbenzenesulfonamide
CID 125049221
(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-(2,5-difluorophenyl)methanone
CID 133239491
1-benzoyl-2-methyl-N-(2-methylsulfanylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 132671580
(3-bromo-5-methylphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 104851784

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-bromo-2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]ethanesulfonamide?
The IUPAC name of N-[3-(5-bromo-2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]ethanesulfonamide (CID 133260892) is N-[3-(5-bromo-2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[3-(5-bromo-2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[3-(5-bromo-2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1cccc(C(=O)N2c3ccc(Br)cc3CC2C)c1.
What is the InChIKey of N-[3-(5-bromo-2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]ethanesulfonamide?
The InChIKey is XGYIOQCYVYYGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3S/c1-3-25(23,24)20-16-6-4-5-13(11-16)18(22)21-12(2)9-14-10-15(19)7-8-17(14)21/h4-8,10-12,20H,3,9H2,1-2H3.
What are the key properties of N-[3-(5-bromo-2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]ethanesulfonamide?
N-[3-(5-bromo-2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]ethanesulfonamide 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 N-[3-(5-bromo-2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]ethanesulfonamide is sourced from PubChem (CID 133260892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).