2-[(2-bromophenyl)-fluoromethyl]sulfonyl-1,3-benzothiazole

C14H9BrFNO2S2 — CID 102052717

IUPAC2-[(2-bromophenyl)-fluoromethyl]sulfonyl-1,3-benzothiazole
SMILESO=S(=O)(c1nc2ccccc2s1)C(F)c1ccccc1Br
InChIInChI=1S/C14H9BrFNO2S2/c15-10-6-2-1-5-9(10)13(16)21(18,19)14-17-11-7-3-4-8-12(11)20-14/h1-8,13H
InChIKeyFDELTDLVPVSNSC-UHFFFAOYSA-N
MW386.27 g/mol
LogP4.50
Rot. Bonds3

About 2-[(2-bromophenyl)-fluoromethyl]sulfonyl-1,3-benzothiazole

2-[(2-bromophenyl)-fluoromethyl]sulfonyl-1,3-benzothiazole (PubChem CID 102052717) has the molecular formula C14H9BrFNO2S2 and a molecular weight of 386.27 g/mol. Its IUPAC name is 2-[(2-bromophenyl)-fluoromethyl]sulfonyl-1,3-benzothiazole.

Molecular Properties

Compound Name2-[(2-bromophenyl)-fluoromethyl]sulfonyl-1,3-benzothiazole
PubChem CID102052717
Molecular FormulaC14H9BrFNO2S2
Molecular Weight386.27 g/mol
Exact Mass384.92
IUPAC Name2-[(2-bromophenyl)-fluoromethyl]sulfonyl-1,3-benzothiazole
SMILESO=S(=O)(c1nc2ccccc2s1)C(F)c1ccccc1Br
InChIInChI=1S/C14H9BrFNO2S2/c15-10-6-2-1-5-9(10)13(16)21(18,19)14-17-11-7-3-4-8-12(11)20-14/h1-8,13H
InChIKeyFDELTDLVPVSNSC-UHFFFAOYSA-N
XLogP4.50
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.27
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(2-bromophenyl)-fluoromethyl]sulfonyl-1,3-benzothiazole 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 2-[(2-bromophenyl)-fluoromethyl]sulfonyl-1,3-benzothiazole?
The IUPAC name of 2-[(2-bromophenyl)-fluoromethyl]sulfonyl-1,3-benzothiazole (CID 102052717) is 2-[(2-bromophenyl)-fluoromethyl]sulfonyl-1,3-benzothiazole.
What is the SMILES notation for 2-[(2-bromophenyl)-fluoromethyl]sulfonyl-1,3-benzothiazole?
The canonical SMILES for 2-[(2-bromophenyl)-fluoromethyl]sulfonyl-1,3-benzothiazole is O=S(=O)(c1nc2ccccc2s1)C(F)c1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)-fluoromethyl]sulfonyl-1,3-benzothiazole?
The InChIKey is FDELTDLVPVSNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFNO2S2/c15-10-6-2-1-5-9(10)13(16)21(18,19)14-17-11-7-3-4-8-12(11)20-14/h1-8,13H.
What are the key properties of 2-[(2-bromophenyl)-fluoromethyl]sulfonyl-1,3-benzothiazole?
2-[(2-bromophenyl)-fluoromethyl]sulfonyl-1,3-benzothiazole has a molecular weight of 386.27 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)-fluoromethyl]sulfonyl-1,3-benzothiazole is sourced from PubChem (CID 102052717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).