6-fluoro-5-methylsulfonyl-2,3-dihydro-1H-indole;hydrochloride

C9H11ClFNO2S — CID 46941748

IUPAC6-fluoro-5-methylsulfonyl-2,3-dihydro-1H-indole;hydrochloride
SMILESCS(=O)(=O)c1cc2c(cc1F)NCC2.Cl
InChIInChI=1S/C9H10FNO2S.ClH/c1-14(12,13)9-4-6-2-3-11-8(6)5-7(9)10;/h4-5,11H,2-3H2,1H3;1H
InChIKeyVXHAVTKRKOSEIQ-UHFFFAOYSA-N
MW251.71 g/mol
LogP1.62
Rot. Bonds1

About 6-fluoro-5-methylsulfonyl-2,3-dihydro-1H-indole;hydrochloride

6-fluoro-5-methylsulfonyl-2,3-dihydro-1H-indole;hydrochloride (PubChem CID 46941748) has the molecular formula C9H11ClFNO2S and a molecular weight of 251.71 g/mol. Its IUPAC name is 6-fluoro-5-methylsulfonyl-2,3-dihydro-1H-indole;hydrochloride.

Molecular Properties

Compound Name6-fluoro-5-methylsulfonyl-2,3-dihydro-1H-indole;hydrochloride
PubChem CID46941748
Molecular FormulaC9H11ClFNO2S
Molecular Weight251.71 g/mol
Exact Mass251.02
IUPAC Name6-fluoro-5-methylsulfonyl-2,3-dihydro-1H-indole;hydrochloride
SMILESCS(=O)(=O)c1cc2c(cc1F)NCC2.Cl
InChIInChI=1S/C9H10FNO2S.ClH/c1-14(12,13)9-4-6-2-3-11-8(6)5-7(9)10;/h4-5,11H,2-3H2,1H3;1H
InChIKeyVXHAVTKRKOSEIQ-UHFFFAOYSA-N
XLogP1.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-5-methylsulfonyl-2,3-dihydro-1H-indole;hydrochloride 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 6-fluoro-5-methylsulfonyl-2,3-dihydro-1H-indole;hydrochloride?
The IUPAC name of 6-fluoro-5-methylsulfonyl-2,3-dihydro-1H-indole;hydrochloride (CID 46941748) is 6-fluoro-5-methylsulfonyl-2,3-dihydro-1H-indole;hydrochloride.
What is the SMILES notation for 6-fluoro-5-methylsulfonyl-2,3-dihydro-1H-indole;hydrochloride?
The canonical SMILES for 6-fluoro-5-methylsulfonyl-2,3-dihydro-1H-indole;hydrochloride is CS(=O)(=O)c1cc2c(cc1F)NCC2.Cl.
What is the InChIKey of 6-fluoro-5-methylsulfonyl-2,3-dihydro-1H-indole;hydrochloride?
The InChIKey is VXHAVTKRKOSEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2S.ClH/c1-14(12,13)9-4-6-2-3-11-8(6)5-7(9)10;/h4-5,11H,2-3H2,1H3;1H.
What are the key properties of 6-fluoro-5-methylsulfonyl-2,3-dihydro-1H-indole;hydrochloride?
6-fluoro-5-methylsulfonyl-2,3-dihydro-1H-indole;hydrochloride has a molecular weight of 251.71 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-methylsulfonyl-2,3-dihydro-1H-indole;hydrochloride is sourced from PubChem (CID 46941748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).