5-[(3-chloro-2-fluorophenyl)sulfamoyl]pyridine-2-carbothioamide

C12H9ClFN3O2S2 — CID 114614097

IUPAC5-[(3-chloro-2-fluorophenyl)sulfamoyl]pyridine-2-carbothioamide
SMILESNC(=S)c1ccc(S(=O)(=O)Nc2cccc(Cl)c2F)cn1
InChIInChI=1S/C12H9ClFN3O2S2/c13-8-2-1-3-9(11(8)14)17-21(18,19)7-4-5-10(12(15)20)16-6-7/h1-6,17H,(H2,15,20)
InChIKeyOLGSNFAMYOQSFN-UHFFFAOYSA-N
MW345.81 g/mol
LogP2.31
Rot. Bonds4

About 5-[(3-chloro-2-fluorophenyl)sulfamoyl]pyridine-2-carbothioamide

5-[(3-chloro-2-fluorophenyl)sulfamoyl]pyridine-2-carbothioamide (PubChem CID 114614097) has the molecular formula C12H9ClFN3O2S2 and a molecular weight of 345.81 g/mol. Its IUPAC name is 5-[(3-chloro-2-fluorophenyl)sulfamoyl]pyridine-2-carbothioamide.

Molecular Properties

Compound Name5-[(3-chloro-2-fluorophenyl)sulfamoyl]pyridine-2-carbothioamide
PubChem CID114614097
Molecular FormulaC12H9ClFN3O2S2
Molecular Weight345.81 g/mol
Exact Mass344.98
IUPAC Name5-[(3-chloro-2-fluorophenyl)sulfamoyl]pyridine-2-carbothioamide
SMILESNC(=S)c1ccc(S(=O)(=O)Nc2cccc(Cl)c2F)cn1
InChIInChI=1S/C12H9ClFN3O2S2/c13-8-2-1-3-9(11(8)14)17-21(18,19)7-4-5-10(12(15)20)16-6-7/h1-6,17H,(H2,15,20)
InChIKeyOLGSNFAMYOQSFN-UHFFFAOYSA-N
XLogP2.31
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.81
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[(3-chloro-2-fluorophenyl)sulfamoyl]pyridine-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-[(3-chloro-2-methylphenyl)sulfamoyl]pyridine-2-carbothioamide
CID 114613985
N-(3-chloro-2-fluorophenyl)-6-hydrazinylpyridine-3-sulfonamide
CID 28969387
5-[(5-bromo-2-fluorophenyl)sulfamoyl]pyridine-2-carbothioamide
CID 114614162
5-[(3,4-difluorophenyl)sulfamoyl]pyridine-2-carbothioamide
CID 114614005
4-amino-3-chloro-N-(3-chloro-2-fluorophenyl)benzenesulfonamide
CID 115329618
5-[(3-chloro-4-methylphenyl)sulfamoyl]pyridine-2-carbothioamide
CID 114613979
5-chloro-N-(3-chloro-2-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 64608883
5-[(3-methylsulfanylphenyl)sulfamoyl]pyridine-2-carbothioamide
CID 114613978
6-amino-N-(2,3-difluorophenyl)pyridine-3-sulfonamide
CID 62147251
5-[(3-methyl-2-pyridinyl)sulfamoyl]pyridine-2-carbothioamide
CID 114614077
5-[(4-fluorophenyl)methylsulfamoyl]pyridine-2-carbothioamide
CID 114614024
6-amino-5-chloro-N-(2,3-difluorophenyl)pyridine-3-sulfonamide
CID 64600885

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-2-fluorophenyl)sulfamoyl]pyridine-2-carbothioamide?
The IUPAC name of 5-[(3-chloro-2-fluorophenyl)sulfamoyl]pyridine-2-carbothioamide (CID 114614097) is 5-[(3-chloro-2-fluorophenyl)sulfamoyl]pyridine-2-carbothioamide.
What is the SMILES notation for 5-[(3-chloro-2-fluorophenyl)sulfamoyl]pyridine-2-carbothioamide?
The canonical SMILES for 5-[(3-chloro-2-fluorophenyl)sulfamoyl]pyridine-2-carbothioamide is NC(=S)c1ccc(S(=O)(=O)Nc2cccc(Cl)c2F)cn1.
What is the InChIKey of 5-[(3-chloro-2-fluorophenyl)sulfamoyl]pyridine-2-carbothioamide?
The InChIKey is OLGSNFAMYOQSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O2S2/c13-8-2-1-3-9(11(8)14)17-21(18,19)7-4-5-10(12(15)20)16-6-7/h1-6,17H,(H2,15,20).
What are the key properties of 5-[(3-chloro-2-fluorophenyl)sulfamoyl]pyridine-2-carbothioamide?
5-[(3-chloro-2-fluorophenyl)sulfamoyl]pyridine-2-carbothioamide has a molecular weight of 345.81 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-2-fluorophenyl)sulfamoyl]pyridine-2-carbothioamide is sourced from PubChem (CID 114614097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).