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

C13H13FN2O2S3 — CID 106270925

IUPAC5-[ethyl-(3-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide
SMILESCCN(c1cccc(F)c1)S(=O)(=O)c1ccc(C(N)=S)s1
InChIInChI=1S/C13H13FN2O2S3/c1-2-16(10-5-3-4-9(14)8-10)21(17,18)12-7-6-11(20-12)13(15)19/h3-8H,2H2,1H3,(H2,15,19)
InChIKeyFWMMPBODLDWMDT-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.74
Rot. Bonds5

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

5-[ethyl-(3-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide (PubChem CID 106270925) has the molecular formula C13H13FN2O2S3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 5-[ethyl-(3-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide.

Molecular Properties

Compound Name5-[ethyl-(3-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide
PubChem CID106270925
Molecular FormulaC13H13FN2O2S3
Molecular Weight344.46 g/mol
Exact Mass344.01
IUPAC Name5-[ethyl-(3-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide
SMILESCCN(c1cccc(F)c1)S(=O)(=O)c1ccc(C(N)=S)s1
InChIInChI=1S/C13H13FN2O2S3/c1-2-16(10-5-3-4-9(14)8-10)21(17,18)12-7-6-11(20-12)13(15)19/h3-8H,2H2,1H3,(H2,15,19)
InChIKeyFWMMPBODLDWMDT-UHFFFAOYSA-N
XLogP2.74
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[ethyl(phenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270133
1-[ethyl(sulfamoyl)amino]-3-fluorobenzene
CID 112686124
5-[ethyl-(3-hydroxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 103223838
5-[(3-hydroxyphenyl)-methylsulfamoyl]thiophene-2-carbothioamide
CID 106272065
5-[butan-2-yl(ethyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270318
N-(3-aminophenyl)-5-bromo-N-ethylthiophene-2-sulfonamide
CID 63229626
N-ethyl-N-(3-fluorophenyl)-2,5-dimethoxybenzenesulfonamide
CID 60534153
5-[2-methoxyethyl(methyl)sulfamoyl]thiophene-2-carbothioamide
CID 114166607
4-cyano-N-ethyl-N-(3-fluorophenyl)benzenesulfonamide
CID 61062784
N-ethyl-2,5-difluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 103223870
5-bromo-N-ethyl-N-(3-fluorophenyl)-3-methyltriazole-4-sulfonamide
CID 103354480
5-[3-(dimethylamino)propyl-methylsulfamoyl]thiophene-2-carbothioamide
CID 106271240

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl-(3-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide?
The IUPAC name of 5-[ethyl-(3-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide (CID 106270925) is 5-[ethyl-(3-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide.
What is the SMILES notation for 5-[ethyl-(3-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide?
The canonical SMILES for 5-[ethyl-(3-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide is CCN(c1cccc(F)c1)S(=O)(=O)c1ccc(C(N)=S)s1.
What is the InChIKey of 5-[ethyl-(3-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide?
The InChIKey is FWMMPBODLDWMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S3/c1-2-16(10-5-3-4-9(14)8-10)21(17,18)12-7-6-11(20-12)13(15)19/h3-8H,2H2,1H3,(H2,15,19).
What are the key properties of 5-[ethyl-(3-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide?
5-[ethyl-(3-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide has a molecular weight of 344.46 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl-(3-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide is sourced from PubChem (CID 106270925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).