5-[(2-chlorophenyl)sulfamoyl]thiophene-2-carbothioamide

C11H9ClN2O2S3 — CID 106270086

IUPAC5-[(2-chlorophenyl)sulfamoyl]thiophene-2-carbothioamide
SMILESNC(=S)c1ccc(S(=O)(=O)Nc2ccccc2Cl)s1
InChIInChI=1S/C11H9ClN2O2S3/c12-7-3-1-2-4-8(7)14-19(15,16)10-6-5-9(18-10)11(13)17/h1-6,14H,(H2,13,17)
InChIKeyFLRVZDGVUUHVLS-UHFFFAOYSA-N
MW332.86 g/mol
LogP2.84
Rot. Bonds4

About 5-[(2-chlorophenyl)sulfamoyl]thiophene-2-carbothioamide

5-[(2-chlorophenyl)sulfamoyl]thiophene-2-carbothioamide (PubChem CID 106270086) has the molecular formula C11H9ClN2O2S3 and a molecular weight of 332.86 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)sulfamoyl]thiophene-2-carbothioamide.

Molecular Properties

Compound Name5-[(2-chlorophenyl)sulfamoyl]thiophene-2-carbothioamide
PubChem CID106270086
Molecular FormulaC11H9ClN2O2S3
Molecular Weight332.86 g/mol
Exact Mass331.95
IUPAC Name5-[(2-chlorophenyl)sulfamoyl]thiophene-2-carbothioamide
SMILESNC(=S)c1ccc(S(=O)(=O)Nc2ccccc2Cl)s1
InChIInChI=1S/C11H9ClN2O2S3/c12-7-3-1-2-4-8(7)14-19(15,16)10-6-5-9(18-10)11(13)17/h1-6,14H,(H2,13,17)
InChIKeyFLRVZDGVUUHVLS-UHFFFAOYSA-N
XLogP2.84
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.86
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[(2-chlorophenyl)sulfamoyl]thiophene-2-carbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(phenylsulfamoyl)thiophene-2-carbothioamide
CID 114166525
5-(pyridin-2-ylsulfamoyl)thiophene-2-carbothioamide
CID 106269900
5-[(4-bromo-2-methylphenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106269968
5-(pyridin-4-ylsulfamoyl)thiophene-2-carbothioamide
CID 106270146
5-[(3-bromo-4-pyridinyl)sulfamoyl]thiophene-2-carbothioamide
CID 106271635
5-[(3-chloro-5-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106272013
5-[(3-methylphenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270162
5-[(3-chloro-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61027238
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
2-chloro-N-(2-chlorophenyl)-1,3-thiazole-5-sulfonamide
CID 43427443
5-[(2-fluorophenyl)methylsulfamoyl]thiophene-2-carbothioamide
CID 106270100

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)sulfamoyl]thiophene-2-carbothioamide?
The IUPAC name of 5-[(2-chlorophenyl)sulfamoyl]thiophene-2-carbothioamide (CID 106270086) is 5-[(2-chlorophenyl)sulfamoyl]thiophene-2-carbothioamide.
What is the SMILES notation for 5-[(2-chlorophenyl)sulfamoyl]thiophene-2-carbothioamide?
The canonical SMILES for 5-[(2-chlorophenyl)sulfamoyl]thiophene-2-carbothioamide is NC(=S)c1ccc(S(=O)(=O)Nc2ccccc2Cl)s1.
What is the InChIKey of 5-[(2-chlorophenyl)sulfamoyl]thiophene-2-carbothioamide?
The InChIKey is FLRVZDGVUUHVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2S3/c12-7-3-1-2-4-8(7)14-19(15,16)10-6-5-9(18-10)11(13)17/h1-6,14H,(H2,13,17).
What are the key properties of 5-[(2-chlorophenyl)sulfamoyl]thiophene-2-carbothioamide?
5-[(2-chlorophenyl)sulfamoyl]thiophene-2-carbothioamide has a molecular weight of 332.86 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)sulfamoyl]thiophene-2-carbothioamide is sourced from PubChem (CID 106270086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).