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

C11H8ClFN2O2S3 — CID 106272013

IUPAC5-[(3-chloro-5-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide
SMILESNC(=S)c1ccc(S(=O)(=O)Nc2cc(F)cc(Cl)c2)s1
InChIInChI=1S/C11H8ClFN2O2S3/c12-6-3-7(13)5-8(4-6)15-20(16,17)10-2-1-9(19-10)11(14)18/h1-5,15H,(H2,14,18)
InChIKeyWRCITFVFGCBYEV-UHFFFAOYSA-N
MW350.85 g/mol
LogP2.98
Rot. Bonds4

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

5-[(3-chloro-5-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide (PubChem CID 106272013) has the molecular formula C11H8ClFN2O2S3 and a molecular weight of 350.85 g/mol. Its IUPAC name is 5-[(3-chloro-5-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide.

Molecular Properties

Compound Name5-[(3-chloro-5-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide
PubChem CID106272013
Molecular FormulaC11H8ClFN2O2S3
Molecular Weight350.85 g/mol
Exact Mass349.94
IUPAC Name5-[(3-chloro-5-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide
SMILESNC(=S)c1ccc(S(=O)(=O)Nc2cc(F)cc(Cl)c2)s1
InChIInChI=1S/C11H8ClFN2O2S3/c12-6-3-7(13)5-8(4-6)15-20(16,17)10-2-1-9(19-10)11(14)18/h1-5,15H,(H2,14,18)
InChIKeyWRCITFVFGCBYEV-UHFFFAOYSA-N
XLogP2.98
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 52.98
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-[(3-bromo-4-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106271772
5-(phenylsulfamoyl)thiophene-2-carbothioamide
CID 114166525
5-(pyridin-4-ylsulfamoyl)thiophene-2-carbothioamide
CID 106270146
5-[(4-bromo-2,6-difluorophenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106271389
5-[(3-methylphenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270162
5-[(2-chlorophenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270086
5-bromo-4-chloro-N-(3-chloro-5-fluorophenyl)thiophene-2-sulfonamide
CID 107370257
3-amino-N-(3-chloro-5-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 107363524
5-[(5-bromo-4-fluoro-2-methylphenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106272038
N-(3,5-dichlorophenyl)-5-methylthiophene-2-sulfonamide
CID 18191064
N-(3-chloro-5-fluorophenyl)-4-hydrazinylbenzenesulfonamide
CID 107367287
5-[(5-chloro-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026497

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-5-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide?
The IUPAC name of 5-[(3-chloro-5-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide (CID 106272013) is 5-[(3-chloro-5-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide.
What is the SMILES notation for 5-[(3-chloro-5-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide?
The canonical SMILES for 5-[(3-chloro-5-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide is NC(=S)c1ccc(S(=O)(=O)Nc2cc(F)cc(Cl)c2)s1.
What is the InChIKey of 5-[(3-chloro-5-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide?
The InChIKey is WRCITFVFGCBYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O2S3/c12-6-3-7(13)5-8(4-6)15-20(16,17)10-2-1-9(19-10)11(14)18/h1-5,15H,(H2,14,18).
What are the key properties of 5-[(3-chloro-5-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide?
5-[(3-chloro-5-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide has a molecular weight of 350.85 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-5-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide is sourced from PubChem (CID 106272013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).