2-(4-bromophenyl)-1,3-thiazole-4-sulfonyl fluoride

C9H5BrFNO2S2 — CID 165459275

IUPAC2-(4-bromophenyl)-1,3-thiazole-4-sulfonyl fluoride
SMILESO=S(=O)(F)c1csc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C9H5BrFNO2S2/c10-7-3-1-6(2-4-7)9-12-8(5-15-9)16(11,13)14/h1-5H
InChIKeyCFKFFKXYAHARKD-UHFFFAOYSA-N
MW322.18 g/mol
LogP3.23
Rot. Bonds2

About 2-(4-bromophenyl)-1,3-thiazole-4-sulfonyl fluoride

2-(4-bromophenyl)-1,3-thiazole-4-sulfonyl fluoride (PubChem CID 165459275) has the molecular formula C9H5BrFNO2S2 and a molecular weight of 322.18 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1,3-thiazole-4-sulfonyl fluoride.

Molecular Properties

Compound Name2-(4-bromophenyl)-1,3-thiazole-4-sulfonyl fluoride
PubChem CID165459275
Molecular FormulaC9H5BrFNO2S2
Molecular Weight322.18 g/mol
Exact Mass320.89
IUPAC Name2-(4-bromophenyl)-1,3-thiazole-4-sulfonyl fluoride
SMILESO=S(=O)(F)c1csc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C9H5BrFNO2S2/c10-7-3-1-6(2-4-7)9-12-8(5-15-9)16(11,13)14/h1-5H
InChIKeyCFKFFKXYAHARKD-UHFFFAOYSA-N
XLogP3.23
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1,3-thiazole-4-sulfonyl fluoride?
The IUPAC name of 2-(4-bromophenyl)-1,3-thiazole-4-sulfonyl fluoride (CID 165459275) is 2-(4-bromophenyl)-1,3-thiazole-4-sulfonyl fluoride.
What is the SMILES notation for 2-(4-bromophenyl)-1,3-thiazole-4-sulfonyl fluoride?
The canonical SMILES for 2-(4-bromophenyl)-1,3-thiazole-4-sulfonyl fluoride is O=S(=O)(F)c1csc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 2-(4-bromophenyl)-1,3-thiazole-4-sulfonyl fluoride?
The InChIKey is CFKFFKXYAHARKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrFNO2S2/c10-7-3-1-6(2-4-7)9-12-8(5-15-9)16(11,13)14/h1-5H.
What are the key properties of 2-(4-bromophenyl)-1,3-thiazole-4-sulfonyl fluoride?
2-(4-bromophenyl)-1,3-thiazole-4-sulfonyl fluoride has a molecular weight of 322.18 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1,3-thiazole-4-sulfonyl fluoride is sourced from PubChem (CID 165459275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).