5-[(3-bromo-4-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide

C11H8BrFN2O2S3 — CID 106271772

IUPAC5-[(3-bromo-4-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide
SMILESNC(=S)c1ccc(S(=O)(=O)Nc2ccc(F)c(Br)c2)s1
InChIInChI=1S/C11H8BrFN2O2S3/c12-7-5-6(1-2-8(7)13)15-20(16,17)10-4-3-9(19-10)11(14)18/h1-5,15H,(H2,14,18)
InChIKeyHXGFGTYBDCPRDI-UHFFFAOYSA-N
MW395.30 g/mol
LogP3.08
Rot. Bonds4

About 5-[(3-bromo-4-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide

5-[(3-bromo-4-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide (PubChem CID 106271772) has the molecular formula C11H8BrFN2O2S3 and a molecular weight of 395.30 g/mol. Its IUPAC name is 5-[(3-bromo-4-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide.

Molecular Properties

Compound Name5-[(3-bromo-4-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide
PubChem CID106271772
Molecular FormulaC11H8BrFN2O2S3
Molecular Weight395.30 g/mol
Exact Mass393.89
IUPAC Name5-[(3-bromo-4-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide
SMILESNC(=S)c1ccc(S(=O)(=O)Nc2ccc(F)c(Br)c2)s1
InChIInChI=1S/C11H8BrFN2O2S3/c12-7-5-6(1-2-8(7)13)15-20(16,17)10-4-3-9(19-10)11(14)18/h1-5,15H,(H2,14,18)
InChIKeyHXGFGTYBDCPRDI-UHFFFAOYSA-N
XLogP3.08
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.30
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-[(5-bromo-4-fluoro-2-methylphenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106272038
5-[(4-bromo-2,6-difluorophenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106271389
5-[(3-chloro-5-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106272013
5-[(3-methylphenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270162
5-(2-aminoethyl)-N-(3-bromo-4-fluorophenyl)thiophene-2-sulfonamide
CID 104779852
5-(phenylsulfamoyl)thiophene-2-carbothioamide
CID 114166525
5-(pyridin-4-ylsulfamoyl)thiophene-2-carbothioamide
CID 106270146
3-[(3-bromo-4-fluorophenyl)sulfamoyl]benzenecarbothioamide
CID 104779115
5-[(4-bromo-2-methylphenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106269968
5-[(3-bromo-4-pyridinyl)sulfamoyl]thiophene-2-carbothioamide
CID 106271635
5-[(3-bromo-4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63334136
2-amino-N-(3-bromo-4-fluorophenyl)benzenesulfonamide
CID 104775446

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-4-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide?
The IUPAC name of 5-[(3-bromo-4-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide (CID 106271772) is 5-[(3-bromo-4-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide.
What is the SMILES notation for 5-[(3-bromo-4-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide?
The canonical SMILES for 5-[(3-bromo-4-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide is NC(=S)c1ccc(S(=O)(=O)Nc2ccc(F)c(Br)c2)s1.
What is the InChIKey of 5-[(3-bromo-4-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide?
The InChIKey is HXGFGTYBDCPRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2O2S3/c12-7-5-6(1-2-8(7)13)15-20(16,17)10-4-3-9(19-10)11(14)18/h1-5,15H,(H2,14,18).
What are the key properties of 5-[(3-bromo-4-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide?
5-[(3-bromo-4-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide has a molecular weight of 395.30 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromo-4-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide is sourced from PubChem (CID 106271772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).