4-bromo-2-fluoro-6-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]benzenesulfonamide

C15H13BrF2N2O2S — CID 166343044

IUPAC4-bromo-2-fluoro-6-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1c(F)cc(Br)cc1N[C@H]1CCc2cc(F)ccc21
InChIInChI=1S/C15H13BrF2N2O2S/c16-9-6-12(18)15(23(19,21)22)14(7-9)20-13-4-1-8-5-10(17)2-3-11(8)13/h2-3,5-7,13,20H,1,4H2,(H2,19,21,22)/t13-/m0/s1
InChIKeyFUIAZLGBSYKOQB-ZDUSSCGKSA-N
MW403.25 g/mol
LogP3.47
Rot. Bonds3

About 4-bromo-2-fluoro-6-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]benzenesulfonamide

4-bromo-2-fluoro-6-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]benzenesulfonamide (PubChem CID 166343044) has the molecular formula C15H13BrF2N2O2S and a molecular weight of 403.25 g/mol. Its IUPAC name is 4-bromo-2-fluoro-6-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-6-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]benzenesulfonamide
PubChem CID166343044
Molecular FormulaC15H13BrF2N2O2S
Molecular Weight403.25 g/mol
Exact Mass401.98
IUPAC Name4-bromo-2-fluoro-6-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1c(F)cc(Br)cc1N[C@H]1CCc2cc(F)ccc21
InChIInChI=1S/C15H13BrF2N2O2S/c16-9-6-12(18)15(23(19,21)22)14(7-9)20-13-4-1-8-5-10(17)2-3-11(8)13/h2-3,5-7,13,20H,1,4H2,(H2,19,21,22)/t13-/m0/s1
InChIKeyFUIAZLGBSYKOQB-ZDUSSCGKSA-N
XLogP3.47
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.25
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-6-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]benzenesulfonamide?
The IUPAC name of 4-bromo-2-fluoro-6-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]benzenesulfonamide (CID 166343044) is 4-bromo-2-fluoro-6-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-fluoro-6-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-bromo-2-fluoro-6-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]benzenesulfonamide is NS(=O)(=O)c1c(F)cc(Br)cc1N[C@H]1CCc2cc(F)ccc21.
What is the InChIKey of 4-bromo-2-fluoro-6-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]benzenesulfonamide?
The InChIKey is FUIAZLGBSYKOQB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H13BrF2N2O2S/c16-9-6-12(18)15(23(19,21)22)14(7-9)20-13-4-1-8-5-10(17)2-3-11(8)13/h2-3,5-7,13,20H,1,4H2,(H2,19,21,22)/t13-/m0/s1.
What are the key properties of 4-bromo-2-fluoro-6-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]benzenesulfonamide?
4-bromo-2-fluoro-6-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]benzenesulfonamide has a molecular weight of 403.25 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-6-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]benzenesulfonamide is sourced from PubChem (CID 166343044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).