(R)-N-[(1R)-6-bromo-1-(1,1-difluoro-2-hydroxyethyl)-2,3-dihydroinden-1-yl]-2-methylpropane-2-sulfinamide

C15H20BrF2NO2S — CID 71078773

IUPAC(R)-N-[(1R)-6-bromo-1-(1,1-difluoro-2-hydroxyethyl)-2,3-dihydroinden-1-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@]1(C(F)(F)CO)CCc2ccc(Br)cc21
InChIInChI=1S/C15H20BrF2NO2S/c1-13(2,3)22(21)19-14(15(17,18)9-20)7-6-10-4-5-11(16)8-12(10)14/h4-5,8,19-20H,6-7,9H2,1-3H3/t14-,22-/m1/s1
InChIKeyAGLNVTFXDBPQES-JLCFBVMHSA-N
MW396.30 g/mol
LogP3.27
Rot. Bonds4

About (R)-N-[(1R)-6-bromo-1-(1,1-difluoro-2-hydroxyethyl)-2,3-dihydroinden-1-yl]-2-methylpropane-2-sulfinamide

(R)-N-[(1R)-6-bromo-1-(1,1-difluoro-2-hydroxyethyl)-2,3-dihydroinden-1-yl]-2-methylpropane-2-sulfinamide (PubChem CID 71078773) has the molecular formula C15H20BrF2NO2S and a molecular weight of 396.30 g/mol. Its IUPAC name is (R)-N-[(1R)-6-bromo-1-(1,1-difluoro-2-hydroxyethyl)-2,3-dihydroinden-1-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1R)-6-bromo-1-(1,1-difluoro-2-hydroxyethyl)-2,3-dihydroinden-1-yl]-2-methylpropane-2-sulfinamide
PubChem CID71078773
Molecular FormulaC15H20BrF2NO2S
Molecular Weight396.30 g/mol
Exact Mass395.04
IUPAC Name(R)-N-[(1R)-6-bromo-1-(1,1-difluoro-2-hydroxyethyl)-2,3-dihydroinden-1-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@]1(C(F)(F)CO)CCc2ccc(Br)cc21
InChIInChI=1S/C15H20BrF2NO2S/c1-13(2,3)22(21)19-14(15(17,18)9-20)7-6-10-4-5-11(16)8-12(10)14/h4-5,8,19-20H,6-7,9H2,1-3H3/t14-,22-/m1/s1
InChIKeyAGLNVTFXDBPQES-JLCFBVMHSA-N
XLogP3.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.30
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (R)-N-[(1R)-6-bromo-1-(1,1-difluoro-2-hydroxyethyl)-2,3-dihydroinden-1-yl]-2-methylpropane-2-sulfinamide 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 (R)-N-[(1R)-6-bromo-1-(1,1-difluoro-2-hydroxyethyl)-2,3-dihydroinden-1-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1R)-6-bromo-1-(1,1-difluoro-2-hydroxyethyl)-2,3-dihydroinden-1-yl]-2-methylpropane-2-sulfinamide (CID 71078773) is (R)-N-[(1R)-6-bromo-1-(1,1-difluoro-2-hydroxyethyl)-2,3-dihydroinden-1-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1R)-6-bromo-1-(1,1-difluoro-2-hydroxyethyl)-2,3-dihydroinden-1-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1R)-6-bromo-1-(1,1-difluoro-2-hydroxyethyl)-2,3-dihydroinden-1-yl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N[C@]1(C(F)(F)CO)CCc2ccc(Br)cc21.
What is the InChIKey of (R)-N-[(1R)-6-bromo-1-(1,1-difluoro-2-hydroxyethyl)-2,3-dihydroinden-1-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is AGLNVTFXDBPQES-JLCFBVMHSA-N. The full InChI is InChI=1S/C15H20BrF2NO2S/c1-13(2,3)22(21)19-14(15(17,18)9-20)7-6-10-4-5-11(16)8-12(10)14/h4-5,8,19-20H,6-7,9H2,1-3H3/t14-,22-/m1/s1.
What are the key properties of (R)-N-[(1R)-6-bromo-1-(1,1-difluoro-2-hydroxyethyl)-2,3-dihydroinden-1-yl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1R)-6-bromo-1-(1,1-difluoro-2-hydroxyethyl)-2,3-dihydroinden-1-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 396.30 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1R)-6-bromo-1-(1,1-difluoro-2-hydroxyethyl)-2,3-dihydroinden-1-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 71078773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).