5-[(3-hydroxyphenyl)-methylsulfamoyl]thiophene-2-carbothioamide

C12H12N2O3S3 — CID 106272065

IUPAC5-[(3-hydroxyphenyl)-methylsulfamoyl]thiophene-2-carbothioamide
SMILESCN(c1cccc(O)c1)S(=O)(=O)c1ccc(C(N)=S)s1
InChIInChI=1S/C12H12N2O3S3/c1-14(8-3-2-4-9(15)7-8)20(16,17)11-6-5-10(19-11)12(13)18/h2-7,15H,1H3,(H2,13,18)
InChIKeyYTNOVWDLKJEWAR-UHFFFAOYSA-N
MW328.44 g/mol
LogP1.91
Rot. Bonds4

About 5-[(3-hydroxyphenyl)-methylsulfamoyl]thiophene-2-carbothioamide

5-[(3-hydroxyphenyl)-methylsulfamoyl]thiophene-2-carbothioamide (PubChem CID 106272065) has the molecular formula C12H12N2O3S3 and a molecular weight of 328.44 g/mol. Its IUPAC name is 5-[(3-hydroxyphenyl)-methylsulfamoyl]thiophene-2-carbothioamide.

Molecular Properties

Compound Name5-[(3-hydroxyphenyl)-methylsulfamoyl]thiophene-2-carbothioamide
PubChem CID106272065
Molecular FormulaC12H12N2O3S3
Molecular Weight328.44 g/mol
Exact Mass328.00
IUPAC Name5-[(3-hydroxyphenyl)-methylsulfamoyl]thiophene-2-carbothioamide
SMILESCN(c1cccc(O)c1)S(=O)(=O)c1ccc(C(N)=S)s1
InChIInChI=1S/C12H12N2O3S3/c1-14(8-3-2-4-9(15)7-8)20(16,17)11-6-5-10(19-11)12(13)18/h2-7,15H,1H3,(H2,13,18)
InChIKeyYTNOVWDLKJEWAR-UHFFFAOYSA-N
XLogP1.91
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(2-aminoethyl)-N-(3-hydroxyphenyl)-N-methylthiophene-2-sulfonamide
CID 107736812
2-[(3-hydroxyphenyl)-methylsulfamoyl]benzenecarbothioamide
CID 107735369
5-[ethyl(phenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270133
5-[ethyl-(3-fluorophenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270925
5-[ethyl-(3-hydroxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 103223838
5-[methyl(oxan-4-yl)sulfamoyl]thiophene-2-carbothioamide
CID 106270447
5-[methyl(2-methylsulfonylethyl)sulfamoyl]thiophene-2-carbothioamide
CID 106271507
5-[3-(dimethylamino)propyl-methylsulfamoyl]thiophene-2-carbothioamide
CID 106271240
N-(3-aminophenyl)-N,5-dimethylthiophene-2-sulfonamide
CID 61296020
5-[2-methoxyethyl(methyl)sulfamoyl]thiophene-2-carbothioamide
CID 114166607
5-bromo-N-(3-hydroxyphenyl)-N,2-dimethylthiophene-3-sulfonamide
CID 103748005
5-[methyl(thiophen-2-ylmethyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270368

Frequently Asked Questions

What is the IUPAC name of 5-[(3-hydroxyphenyl)-methylsulfamoyl]thiophene-2-carbothioamide?
The IUPAC name of 5-[(3-hydroxyphenyl)-methylsulfamoyl]thiophene-2-carbothioamide (CID 106272065) is 5-[(3-hydroxyphenyl)-methylsulfamoyl]thiophene-2-carbothioamide.
What is the SMILES notation for 5-[(3-hydroxyphenyl)-methylsulfamoyl]thiophene-2-carbothioamide?
The canonical SMILES for 5-[(3-hydroxyphenyl)-methylsulfamoyl]thiophene-2-carbothioamide is CN(c1cccc(O)c1)S(=O)(=O)c1ccc(C(N)=S)s1.
What is the InChIKey of 5-[(3-hydroxyphenyl)-methylsulfamoyl]thiophene-2-carbothioamide?
The InChIKey is YTNOVWDLKJEWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S3/c1-14(8-3-2-4-9(15)7-8)20(16,17)11-6-5-10(19-11)12(13)18/h2-7,15H,1H3,(H2,13,18).
What are the key properties of 5-[(3-hydroxyphenyl)-methylsulfamoyl]thiophene-2-carbothioamide?
5-[(3-hydroxyphenyl)-methylsulfamoyl]thiophene-2-carbothioamide has a molecular weight of 328.44 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-hydroxyphenyl)-methylsulfamoyl]thiophene-2-carbothioamide is sourced from PubChem (CID 106272065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).