4,6-dichloro-N-(2-ethylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine

C17H17Cl2NO2S — CID 166399687

IUPAC4,6-dichloro-N-(2-ethylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine
SMILESCCS(=O)(=O)c1ccccc1NC1CCc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C17H17Cl2NO2S/c1-2-23(21,22)17-6-4-3-5-16(17)20-15-8-7-12-13(15)9-11(18)10-14(12)19/h3-6,9-10,15,20H,2,7-8H2,1H3
InChIKeyBJBAXVCQNGNMNZ-UHFFFAOYSA-N
MW370.30 g/mol
LogP4.89
Rot. Bonds4

About 4,6-dichloro-N-(2-ethylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine

4,6-dichloro-N-(2-ethylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 166399687) has the molecular formula C17H17Cl2NO2S and a molecular weight of 370.30 g/mol. Its IUPAC name is 4,6-dichloro-N-(2-ethylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4,6-dichloro-N-(2-ethylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID166399687
Molecular FormulaC17H17Cl2NO2S
Molecular Weight370.30 g/mol
Exact Mass369.04
IUPAC Name4,6-dichloro-N-(2-ethylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine
SMILESCCS(=O)(=O)c1ccccc1NC1CCc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C17H17Cl2NO2S/c1-2-23(21,22)17-6-4-3-5-16(17)20-15-8-7-12-13(15)9-11(18)10-14(12)19/h3-6,9-10,15,20H,2,7-8H2,1H3
InChIKeyBJBAXVCQNGNMNZ-UHFFFAOYSA-N
XLogP4.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.30
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-(2-ethylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4,6-dichloro-N-(2-ethylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine (CID 166399687) is 4,6-dichloro-N-(2-ethylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4,6-dichloro-N-(2-ethylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4,6-dichloro-N-(2-ethylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine is CCS(=O)(=O)c1ccccc1NC1CCc2c(Cl)cc(Cl)cc21.
What is the InChIKey of 4,6-dichloro-N-(2-ethylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is BJBAXVCQNGNMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO2S/c1-2-23(21,22)17-6-4-3-5-16(17)20-15-8-7-12-13(15)9-11(18)10-14(12)19/h3-6,9-10,15,20H,2,7-8H2,1H3.
What are the key properties of 4,6-dichloro-N-(2-ethylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine?
4,6-dichloro-N-(2-ethylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 370.30 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-(2-ethylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 166399687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).