3-(phenylsulfamoyl)pyridine-2-carbothioamide

C12H11N3O2S2 — CID 106596278

IUPAC3-(phenylsulfamoyl)pyridine-2-carbothioamide
SMILESNC(=S)c1ncccc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C12H11N3O2S2/c13-12(18)11-10(7-4-8-14-11)19(16,17)15-9-5-2-1-3-6-9/h1-8,15H,(H2,13,18)
InChIKeyKKXUBGVZDSTCEK-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.52
Rot. Bonds4

About 3-(phenylsulfamoyl)pyridine-2-carbothioamide

3-(phenylsulfamoyl)pyridine-2-carbothioamide (PubChem CID 106596278) has the molecular formula C12H11N3O2S2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-(phenylsulfamoyl)pyridine-2-carbothioamide.

Molecular Properties

Compound Name3-(phenylsulfamoyl)pyridine-2-carbothioamide
PubChem CID106596278
Molecular FormulaC12H11N3O2S2
Molecular Weight293.37 g/mol
Exact Mass293.03
IUPAC Name3-(phenylsulfamoyl)pyridine-2-carbothioamide
SMILESNC(=S)c1ncccc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C12H11N3O2S2/c13-12(18)11-10(7-4-8-14-11)19(16,17)15-9-5-2-1-3-6-9/h1-8,15H,(H2,13,18)
InChIKeyKKXUBGVZDSTCEK-UHFFFAOYSA-N
XLogP1.52
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.52
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

3-(pyridin-3-ylsulfamoyl)pyridine-2-carbothioamide
CID 106596301
3-[(3,4-difluorophenyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596336
3-[(2,6-dibromophenyl)sulfamoyl]pyridine-2-carbothioamide
CID 107600488
3-[(2-methylsulfanylphenyl)sulfamoyl]pyridine-2-carbothioamide
CID 107642035
3-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]pyridine-2-carbothioamide
CID 106596464
3-(ethylsulfamoyl)pyridine-2-carbothioamide
CID 106596293
3-[(4-chloro-2-iodophenyl)sulfamoyl]pyridine-2-carbothioamide
CID 107626085
3-[(2,5-difluorophenyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596322
3-[(4-bromo-2-methylphenyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596318
2-(pyridin-4-ylsulfamoyl)benzenecarbothioamide
CID 24710907
3-(3,3-dimethylbutan-2-ylsulfamoyl)pyridine-2-carbothioamide
CID 106597826
3-[(2-bromo-4-methylphenyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596311

Frequently Asked Questions

What is the IUPAC name of 3-(phenylsulfamoyl)pyridine-2-carbothioamide?
The IUPAC name of 3-(phenylsulfamoyl)pyridine-2-carbothioamide (CID 106596278) is 3-(phenylsulfamoyl)pyridine-2-carbothioamide.
What is the SMILES notation for 3-(phenylsulfamoyl)pyridine-2-carbothioamide?
The canonical SMILES for 3-(phenylsulfamoyl)pyridine-2-carbothioamide is NC(=S)c1ncccc1S(=O)(=O)Nc1ccccc1.
What is the InChIKey of 3-(phenylsulfamoyl)pyridine-2-carbothioamide?
The InChIKey is KKXUBGVZDSTCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S2/c13-12(18)11-10(7-4-8-14-11)19(16,17)15-9-5-2-1-3-6-9/h1-8,15H,(H2,13,18).
What are the key properties of 3-(phenylsulfamoyl)pyridine-2-carbothioamide?
3-(phenylsulfamoyl)pyridine-2-carbothioamide has a molecular weight of 293.37 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenylsulfamoyl)pyridine-2-carbothioamide is sourced from PubChem (CID 106596278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).