2-bromo-4-fluoro-N-thiophen-3-ylbenzenesulfonamide

C10H7BrFNO2S2 — CID 66355037

IUPAC2-bromo-4-fluoro-N-thiophen-3-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccsc1)c1ccc(F)cc1Br
InChIInChI=1S/C10H7BrFNO2S2/c11-9-5-7(12)1-2-10(9)17(14,15)13-8-3-4-16-6-8/h1-6,13H
InChIKeyVRLIPROLUAQSPQ-UHFFFAOYSA-N
MW336.21 g/mol
LogP3.45
Rot. Bonds3

About 2-bromo-4-fluoro-N-thiophen-3-ylbenzenesulfonamide

2-bromo-4-fluoro-N-thiophen-3-ylbenzenesulfonamide (PubChem CID 66355037) has the molecular formula C10H7BrFNO2S2 and a molecular weight of 336.21 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-thiophen-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-thiophen-3-ylbenzenesulfonamide
PubChem CID66355037
Molecular FormulaC10H7BrFNO2S2
Molecular Weight336.21 g/mol
Exact Mass334.91
IUPAC Name2-bromo-4-fluoro-N-thiophen-3-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccsc1)c1ccc(F)cc1Br
InChIInChI=1S/C10H7BrFNO2S2/c11-9-5-7(12)1-2-10(9)17(14,15)13-8-3-4-16-6-8/h1-6,13H
InChIKeyVRLIPROLUAQSPQ-UHFFFAOYSA-N
XLogP3.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.21
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-fluoro-N-thiophen-3-ylbenzenesulfonamide
CID 66351438
3-bromo-4-(thiophen-3-ylsulfamoyl)benzoic acid
CID 66352575
2-bromo-4-fluoro-N-(4-iodophenyl)benzenesulfonamide
CID 47203987
2-bromo-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 47257466
4-amino-2-fluoro-N-thiophen-3-ylbenzenesulfonamide
CID 66350557
2-bromo-4-fluoro-N-pyridin-4-ylbenzenesulfonamide
CID 60823438
2-bromo-4-fluoro-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 78955831
2-bromo-4-fluoro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62811743
N-(6-amino-3-pyridinyl)-2-bromo-4-fluorobenzenesulfonamide
CID 60824210
4-[(2-bromo-4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid
CID 63650957
2-bromo-4-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide
CID 61221276
2-bromo-N-(4-bromo-2-fluorophenyl)-4-fluorobenzenesulfonamide
CID 47257455

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-thiophen-3-ylbenzenesulfonamide?
The IUPAC name of 2-bromo-4-fluoro-N-thiophen-3-ylbenzenesulfonamide (CID 66355037) is 2-bromo-4-fluoro-N-thiophen-3-ylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-thiophen-3-ylbenzenesulfonamide?
The canonical SMILES for 2-bromo-4-fluoro-N-thiophen-3-ylbenzenesulfonamide is O=S(=O)(Nc1ccsc1)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-thiophen-3-ylbenzenesulfonamide?
The InChIKey is VRLIPROLUAQSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFNO2S2/c11-9-5-7(12)1-2-10(9)17(14,15)13-8-3-4-16-6-8/h1-6,13H.
What are the key properties of 2-bromo-4-fluoro-N-thiophen-3-ylbenzenesulfonamide?
2-bromo-4-fluoro-N-thiophen-3-ylbenzenesulfonamide has a molecular weight of 336.21 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-thiophen-3-ylbenzenesulfonamide is sourced from PubChem (CID 66355037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).