5-bromo-N-(2-ethylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine

C17H18BrNO2S — CID 133269650

IUPAC5-bromo-N-(2-ethylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine
SMILESCCS(=O)(=O)c1ccccc1NC1CCc2cc(Br)ccc21
InChIInChI=1S/C17H18BrNO2S/c1-2-22(20,21)17-6-4-3-5-16(17)19-15-10-7-12-11-13(18)8-9-14(12)15/h3-6,8-9,11,15,19H,2,7,10H2,1H3
InChIKeyOVQXOSZRSROQSF-UHFFFAOYSA-N
MW380.31 g/mol
LogP4.34
Rot. Bonds4

About 5-bromo-N-(2-ethylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine

5-bromo-N-(2-ethylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 133269650) has the molecular formula C17H18BrNO2S and a molecular weight of 380.31 g/mol. Its IUPAC name is 5-bromo-N-(2-ethylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-bromo-N-(2-ethylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID133269650
Molecular FormulaC17H18BrNO2S
Molecular Weight380.31 g/mol
Exact Mass379.02
IUPAC Name5-bromo-N-(2-ethylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine
SMILESCCS(=O)(=O)c1ccccc1NC1CCc2cc(Br)ccc21
InChIInChI=1S/C17H18BrNO2S/c1-2-22(20,21)17-6-4-3-5-16(17)19-15-10-7-12-11-13(18)8-9-14(12)15/h3-6,8-9,11,15,19H,2,7,10H2,1H3
InChIKeyOVQXOSZRSROQSF-UHFFFAOYSA-N
XLogP4.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.31
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-(2-ethylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-(5-bromo-2,3-dihydro-1H-inden-1-yl)naphthalen-1-amine
CID 63418541
5-chloro-N-(2-methylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 78997541
4,6-dichloro-N-(2-ethylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 166399687
5-bromo-N-(2-prop-2-enylsulfanylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 63449174
2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-methylethanesulfonamide
CID 102676098
2-[[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenol
CID 115603168
5-bromo-N-(4-bromo-2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 107787981
5-bromo-N-(2,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 55198817
5-bromo-N-(2,4-dibromo-5-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine
CID 103412097
N-(2-ethylsulfonylphenyl)cycloheptanamine
CID 43453589
5-bromo-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 63422795
N-(2-ethylsulfonylphenyl)oxan-4-amine
CID 43610395

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-ethylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-bromo-N-(2-ethylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine (CID 133269650) is 5-bromo-N-(2-ethylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-bromo-N-(2-ethylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-bromo-N-(2-ethylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine is CCS(=O)(=O)c1ccccc1NC1CCc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-N-(2-ethylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is OVQXOSZRSROQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2S/c1-2-22(20,21)17-6-4-3-5-16(17)19-15-10-7-12-11-13(18)8-9-14(12)15/h3-6,8-9,11,15,19H,2,7,10H2,1H3.
What are the key properties of 5-bromo-N-(2-ethylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine?
5-bromo-N-(2-ethylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 380.31 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-ethylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 133269650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).