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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).