5-[(4-bromo-2,6-difluorophenyl)sulfamoyl]thiophene-2-carbothioamide

C11H7BrF2N2O2S3 — CID 106271389

IUPAC5-[(4-bromo-2,6-difluorophenyl)sulfamoyl]thiophene-2-carbothioamide
SMILESNC(=S)c1ccc(S(=O)(=O)Nc2c(F)cc(Br)cc2F)s1
InChIInChI=1S/C11H7BrF2N2O2S3/c12-5-3-6(13)10(7(14)4-5)16-21(17,18)9-2-1-8(20-9)11(15)19/h1-4,16H,(H2,15,19)
InChIKeyWRRHEOBPQOEIKW-UHFFFAOYSA-N
MW413.29 g/mol
LogP3.22
Rot. Bonds4

About 5-[(4-bromo-2,6-difluorophenyl)sulfamoyl]thiophene-2-carbothioamide

5-[(4-bromo-2,6-difluorophenyl)sulfamoyl]thiophene-2-carbothioamide (PubChem CID 106271389) has the molecular formula C11H7BrF2N2O2S3 and a molecular weight of 413.29 g/mol. Its IUPAC name is 5-[(4-bromo-2,6-difluorophenyl)sulfamoyl]thiophene-2-carbothioamide.

Molecular Properties

Compound Name5-[(4-bromo-2,6-difluorophenyl)sulfamoyl]thiophene-2-carbothioamide
PubChem CID106271389
Molecular FormulaC11H7BrF2N2O2S3
Molecular Weight413.29 g/mol
Exact Mass411.88
IUPAC Name5-[(4-bromo-2,6-difluorophenyl)sulfamoyl]thiophene-2-carbothioamide
SMILESNC(=S)c1ccc(S(=O)(=O)Nc2c(F)cc(Br)cc2F)s1
InChIInChI=1S/C11H7BrF2N2O2S3/c12-5-3-6(13)10(7(14)4-5)16-21(17,18)9-2-1-8(20-9)11(15)19/h1-4,16H,(H2,15,19)
InChIKeyWRRHEOBPQOEIKW-UHFFFAOYSA-N
XLogP3.22
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.29
LogP ≤ 53.22
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-bromo-N-(4-bromo-2,6-difluorophenyl)thiophene-2-sulfonamide
CID 65499829
5-[(5-bromo-4-fluoro-2-methylphenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106272038
5-[(4-bromo-2-methylphenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106269968
5-[(3-bromo-4-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106271772
5-[(3-methylphenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270162
5-[(3-chloro-5-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106272013
5-(phenylsulfamoyl)thiophene-2-carbothioamide
CID 114166525
5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophene-2-carbothioamide
CID 106270396
5-(pyridin-4-ylsulfamoyl)thiophene-2-carbothioamide
CID 106270146
5-[(3-bromo-4-pyridinyl)sulfamoyl]thiophene-2-carbothioamide
CID 106271635
5-[(2-chlorophenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270086
5-(pyridin-2-ylsulfamoyl)thiophene-2-carbothioamide
CID 106269900

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-2,6-difluorophenyl)sulfamoyl]thiophene-2-carbothioamide?
The IUPAC name of 5-[(4-bromo-2,6-difluorophenyl)sulfamoyl]thiophene-2-carbothioamide (CID 106271389) is 5-[(4-bromo-2,6-difluorophenyl)sulfamoyl]thiophene-2-carbothioamide.
What is the SMILES notation for 5-[(4-bromo-2,6-difluorophenyl)sulfamoyl]thiophene-2-carbothioamide?
The canonical SMILES for 5-[(4-bromo-2,6-difluorophenyl)sulfamoyl]thiophene-2-carbothioamide is NC(=S)c1ccc(S(=O)(=O)Nc2c(F)cc(Br)cc2F)s1.
What is the InChIKey of 5-[(4-bromo-2,6-difluorophenyl)sulfamoyl]thiophene-2-carbothioamide?
The InChIKey is WRRHEOBPQOEIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF2N2O2S3/c12-5-3-6(13)10(7(14)4-5)16-21(17,18)9-2-1-8(20-9)11(15)19/h1-4,16H,(H2,15,19).
What are the key properties of 5-[(4-bromo-2,6-difluorophenyl)sulfamoyl]thiophene-2-carbothioamide?
5-[(4-bromo-2,6-difluorophenyl)sulfamoyl]thiophene-2-carbothioamide has a molecular weight of 413.29 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-2,6-difluorophenyl)sulfamoyl]thiophene-2-carbothioamide is sourced from PubChem (CID 106271389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).