1-[(1R)-2-(benzenesulfonyl)-1-fluoroethyl]-4-bromobenzene

C14H12BrFO2S — CID 139124011

IUPAC1-[(1R)-2-(benzenesulfonyl)-1-fluoroethyl]-4-bromobenzene
SMILESO=S(=O)(C[C@H](F)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C14H12BrFO2S/c15-12-8-6-11(7-9-12)14(16)10-19(17,18)13-4-2-1-3-5-13/h1-9,14H,10H2/t14-/m0/s1
InChIKeyTYWINTGFYVATTG-AWEZNQCLSA-N
MW343.22 g/mol
LogP3.93
Rot. Bonds4

About 1-[(1R)-2-(benzenesulfonyl)-1-fluoroethyl]-4-bromobenzene

1-[(1R)-2-(benzenesulfonyl)-1-fluoroethyl]-4-bromobenzene (PubChem CID 139124011) has the molecular formula C14H12BrFO2S and a molecular weight of 343.22 g/mol. Its IUPAC name is 1-[(1R)-2-(benzenesulfonyl)-1-fluoroethyl]-4-bromobenzene.

Molecular Properties

Compound Name1-[(1R)-2-(benzenesulfonyl)-1-fluoroethyl]-4-bromobenzene
PubChem CID139124011
Molecular FormulaC14H12BrFO2S
Molecular Weight343.22 g/mol
Exact Mass341.97
IUPAC Name1-[(1R)-2-(benzenesulfonyl)-1-fluoroethyl]-4-bromobenzene
SMILESO=S(=O)(C[C@H](F)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C14H12BrFO2S/c15-12-8-6-11(7-9-12)14(16)10-19(17,18)13-4-2-1-3-5-13/h1-9,14H,10H2/t14-/m0/s1
InChIKeyTYWINTGFYVATTG-AWEZNQCLSA-N
XLogP3.93
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(1R)-2-(benzenesulfonyl)-1-fluoroethyl]-4-bromobenzene 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 1-[(1R)-2-(benzenesulfonyl)-1-fluoroethyl]-4-bromobenzene?
The IUPAC name of 1-[(1R)-2-(benzenesulfonyl)-1-fluoroethyl]-4-bromobenzene (CID 139124011) is 1-[(1R)-2-(benzenesulfonyl)-1-fluoroethyl]-4-bromobenzene.
What is the SMILES notation for 1-[(1R)-2-(benzenesulfonyl)-1-fluoroethyl]-4-bromobenzene?
The canonical SMILES for 1-[(1R)-2-(benzenesulfonyl)-1-fluoroethyl]-4-bromobenzene is O=S(=O)(C[C@H](F)c1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 1-[(1R)-2-(benzenesulfonyl)-1-fluoroethyl]-4-bromobenzene?
The InChIKey is TYWINTGFYVATTG-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H12BrFO2S/c15-12-8-6-11(7-9-12)14(16)10-19(17,18)13-4-2-1-3-5-13/h1-9,14H,10H2/t14-/m0/s1.
What are the key properties of 1-[(1R)-2-(benzenesulfonyl)-1-fluoroethyl]-4-bromobenzene?
1-[(1R)-2-(benzenesulfonyl)-1-fluoroethyl]-4-bromobenzene has a molecular weight of 343.22 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-(benzenesulfonyl)-1-fluoroethyl]-4-bromobenzene is sourced from PubChem (CID 139124011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).