5-[(2-fluorophenyl)methylsulfamoyl]thiophene-2-carbothioamide

C12H11FN2O2S3 — CID 106270100

IUPAC5-[(2-fluorophenyl)methylsulfamoyl]thiophene-2-carbothioamide
SMILESNC(=S)c1ccc(S(=O)(=O)NCc2ccccc2F)s1
InChIInChI=1S/C12H11FN2O2S3/c13-9-4-2-1-3-8(9)7-15-20(16,17)11-6-5-10(19-11)12(14)18/h1-6,15H,7H2,(H2,14,18)
InChIKeyLDGWUQIUTMCCSJ-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.00
Rot. Bonds5

About 5-[(2-fluorophenyl)methylsulfamoyl]thiophene-2-carbothioamide

5-[(2-fluorophenyl)methylsulfamoyl]thiophene-2-carbothioamide (PubChem CID 106270100) has the molecular formula C12H11FN2O2S3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methylsulfamoyl]thiophene-2-carbothioamide.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methylsulfamoyl]thiophene-2-carbothioamide
PubChem CID106270100
Molecular FormulaC12H11FN2O2S3
Molecular Weight330.43 g/mol
Exact Mass330.00
IUPAC Name5-[(2-fluorophenyl)methylsulfamoyl]thiophene-2-carbothioamide
SMILESNC(=S)c1ccc(S(=O)(=O)NCc2ccccc2F)s1
InChIInChI=1S/C12H11FN2O2S3/c13-9-4-2-1-3-8(9)7-15-20(16,17)11-6-5-10(19-11)12(14)18/h1-6,15H,7H2,(H2,14,18)
InChIKeyLDGWUQIUTMCCSJ-UHFFFAOYSA-N
XLogP2.00
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.00
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-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide
CID 43520900
5-[(2-hydroxyphenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 114331354
5-(phenylsulfamoyl)thiophene-2-carbothioamide
CID 114166525
5-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]thiophene-2-carbothioamide
CID 106270937
4-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]-3-fluorobenzenecarbothioamide
CID 63359295
5-[(5-carbamothioylthiophen-2-yl)sulfonylamino]pentanamide
CID 106272188
5-[(2-methyl-2-methylsulfanylpropyl)sulfamoyl]thiophene-2-carbothioamide
CID 114166719
5-[(2-chlorophenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270086
3-fluoro-4-[(thiophen-2-ylsulfonylamino)methyl]benzenecarbothioamide
CID 63359251
N-[(2-fluorophenyl)methyl]-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide
CID 112992526
2-[2-[(5-carbamothioylthiophen-2-yl)sulfonylamino]ethoxy]acetamide
CID 106272189
5-[(4-bromo-2,6-difluorophenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106271389

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methylsulfamoyl]thiophene-2-carbothioamide?
The IUPAC name of 5-[(2-fluorophenyl)methylsulfamoyl]thiophene-2-carbothioamide (CID 106270100) is 5-[(2-fluorophenyl)methylsulfamoyl]thiophene-2-carbothioamide.
What is the SMILES notation for 5-[(2-fluorophenyl)methylsulfamoyl]thiophene-2-carbothioamide?
The canonical SMILES for 5-[(2-fluorophenyl)methylsulfamoyl]thiophene-2-carbothioamide is NC(=S)c1ccc(S(=O)(=O)NCc2ccccc2F)s1.
What is the InChIKey of 5-[(2-fluorophenyl)methylsulfamoyl]thiophene-2-carbothioamide?
The InChIKey is LDGWUQIUTMCCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S3/c13-9-4-2-1-3-8(9)7-15-20(16,17)11-6-5-10(19-11)12(14)18/h1-6,15H,7H2,(H2,14,18).
What are the key properties of 5-[(2-fluorophenyl)methylsulfamoyl]thiophene-2-carbothioamide?
5-[(2-fluorophenyl)methylsulfamoyl]thiophene-2-carbothioamide has a molecular weight of 330.43 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methylsulfamoyl]thiophene-2-carbothioamide is sourced from PubChem (CID 106270100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).