2-bromo-4-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide

C8H5BrFN3O2S2 — CID 60824852

IUPAC2-bromo-4-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nncs1)c1ccc(F)cc1Br
InChIInChI=1S/C8H5BrFN3O2S2/c9-6-3-5(10)1-2-7(6)17(14,15)13-8-12-11-4-16-8/h1-4H,(H,12,13)
InChIKeyQSMBKQVMKZXJCO-UHFFFAOYSA-N
MW338.18 g/mol
LogP2.24
Rot. Bonds3

About 2-bromo-4-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide

2-bromo-4-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 60824852) has the molecular formula C8H5BrFN3O2S2 and a molecular weight of 338.18 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID60824852
Molecular FormulaC8H5BrFN3O2S2
Molecular Weight338.18 g/mol
Exact Mass336.90
IUPAC Name2-bromo-4-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nncs1)c1ccc(F)cc1Br
InChIInChI=1S/C8H5BrFN3O2S2/c9-6-3-5(10)1-2-7(6)17(14,15)13-8-12-11-4-16-8/h1-4H,(H,12,13)
InChIKeyQSMBKQVMKZXJCO-UHFFFAOYSA-N
XLogP2.24
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2-bromo-4-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 60824852) is 2-bromo-4-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nncs1)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is QSMBKQVMKZXJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrFN3O2S2/c9-6-3-5(10)1-2-7(6)17(14,15)13-8-12-11-4-16-8/h1-4H,(H,12,13).
What are the key properties of 2-bromo-4-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
2-bromo-4-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 338.18 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 60824852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).