N-[2-(6-bromo-2,3-dihydroindol-1-yl)ethyl]methanesulfonamide

C11H15BrN2O2S — CID 75534700

IUPACN-[2-(6-bromo-2,3-dihydroindol-1-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCN1CCc2ccc(Br)cc21
InChIInChI=1S/C11H15BrN2O2S/c1-17(15,16)13-5-7-14-6-4-9-2-3-10(12)8-11(9)14/h2-3,8,13H,4-7H2,1H3
InChIKeyVLQSKVISHDUMDH-UHFFFAOYSA-N
MW319.22 g/mol
LogP1.36
Rot. Bonds4

About N-[2-(6-bromo-2,3-dihydroindol-1-yl)ethyl]methanesulfonamide

N-[2-(6-bromo-2,3-dihydroindol-1-yl)ethyl]methanesulfonamide (PubChem CID 75534700) has the molecular formula C11H15BrN2O2S and a molecular weight of 319.22 g/mol. Its IUPAC name is N-[2-(6-bromo-2,3-dihydroindol-1-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(6-bromo-2,3-dihydroindol-1-yl)ethyl]methanesulfonamide
PubChem CID75534700
Molecular FormulaC11H15BrN2O2S
Molecular Weight319.22 g/mol
Exact Mass318.00
IUPAC NameN-[2-(6-bromo-2,3-dihydroindol-1-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCN1CCc2ccc(Br)cc21
InChIInChI=1S/C11H15BrN2O2S/c1-17(15,16)13-5-7-14-6-4-9-2-3-10(12)8-11(9)14/h2-3,8,13H,4-7H2,1H3
InChIKeyVLQSKVISHDUMDH-UHFFFAOYSA-N
XLogP1.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-bromo-2,3-dihydroindol-1-yl)ethanamine
CID 22612698
1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-amine
CID 18735337
6-bromo-1-methyl-2,3-dihydroindole
CID 13098380
N-[1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-yl]-3-methylbutan-1-amine
CID 18735361
6-bromo-2,3-dihydroindol-1-amine
CID 22612697
(2S)-1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-amine;(E)-but-2-enedioic acid
CID 23640916
N-(1-benzyl-6-bromo-2,3-dihydroindol-4-yl)methanesulfonamide
CID 126600954
7-bromo-1-methyl-3,4-dihydro-2H-quinoline
CID 82618152
N-[1-[2-(1-methylimidazol-4-yl)ethyl]-2,3-dihydroindol-6-yl]methanesulfonamide
CID 59468725
N-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]methanesulfonamide
CID 110729989
N-[2-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]methanesulfonamide
CID 75431193
5-bromo-1-methyl-2,3-dihydroindole
CID 19361435

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-bromo-2,3-dihydroindol-1-yl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(6-bromo-2,3-dihydroindol-1-yl)ethyl]methanesulfonamide (CID 75534700) is N-[2-(6-bromo-2,3-dihydroindol-1-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(6-bromo-2,3-dihydroindol-1-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(6-bromo-2,3-dihydroindol-1-yl)ethyl]methanesulfonamide is CS(=O)(=O)NCCN1CCc2ccc(Br)cc21.
What is the InChIKey of N-[2-(6-bromo-2,3-dihydroindol-1-yl)ethyl]methanesulfonamide?
The InChIKey is VLQSKVISHDUMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2S/c1-17(15,16)13-5-7-14-6-4-9-2-3-10(12)8-11(9)14/h2-3,8,13H,4-7H2,1H3.
What are the key properties of N-[2-(6-bromo-2,3-dihydroindol-1-yl)ethyl]methanesulfonamide?
N-[2-(6-bromo-2,3-dihydroindol-1-yl)ethyl]methanesulfonamide has a molecular weight of 319.22 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-bromo-2,3-dihydroindol-1-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 75534700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).