3-methyl-4-[(3-methyl-4-pyridinyl)sulfamoyl]benzenecarbothioamide

C14H15N3O2S2 — CID 106998225

IUPAC3-methyl-4-[(3-methyl-4-pyridinyl)sulfamoyl]benzenecarbothioamide
SMILESCc1cnccc1NS(=O)(=O)c1ccc(C(N)=S)cc1C
InChIInChI=1S/C14H15N3O2S2/c1-9-7-11(14(15)20)3-4-13(9)21(18,19)17-12-5-6-16-8-10(12)2/h3-8H,1-2H3,(H2,15,20)(H,16,17)
InChIKeyWVQNHKDCMJJCDR-UHFFFAOYSA-N
MW321.43 g/mol
LogP2.13
Rot. Bonds4

About 3-methyl-4-[(3-methyl-4-pyridinyl)sulfamoyl]benzenecarbothioamide

3-methyl-4-[(3-methyl-4-pyridinyl)sulfamoyl]benzenecarbothioamide (PubChem CID 106998225) has the molecular formula C14H15N3O2S2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 3-methyl-4-[(3-methyl-4-pyridinyl)sulfamoyl]benzenecarbothioamide.

Molecular Properties

Compound Name3-methyl-4-[(3-methyl-4-pyridinyl)sulfamoyl]benzenecarbothioamide
PubChem CID106998225
Molecular FormulaC14H15N3O2S2
Molecular Weight321.43 g/mol
Exact Mass321.06
IUPAC Name3-methyl-4-[(3-methyl-4-pyridinyl)sulfamoyl]benzenecarbothioamide
SMILESCc1cnccc1NS(=O)(=O)c1ccc(C(N)=S)cc1C
InChIInChI=1S/C14H15N3O2S2/c1-9-7-11(14(15)20)3-4-13(9)21(18,19)17-12-5-6-16-8-10(12)2/h3-8H,1-2H3,(H2,15,20)(H,16,17)
InChIKeyWVQNHKDCMJJCDR-UHFFFAOYSA-N
XLogP2.13
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-methyl-4-[(3-methyl-4-pyridinyl)sulfamoyl]benzenecarbothioamide 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

3-methyl-4-(pyridin-2-ylsulfamoyl)benzenecarbothioamide
CID 106997501
4-methyl-3-[(3-methyl-4-pyridinyl)sulfamoyl]benzoic acid
CID 63669848
4-[(4-fluorophenyl)sulfamoyl]-3-methylbenzenecarbothioamide
CID 106997583
3-methyl-4-(thiatriazol-5-ylsulfamoyl)benzenecarbothioamide
CID 106998596
4-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-3-methylbenzenecarbothioamide
CID 106997793
2,5-dibromo-4-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 80708249
4-amino-2-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63667957
3-amino-2,5-dimethyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 79889835
4-acetyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63670374
5-fluoro-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 86768448
5-amino-2-chloro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63667966
3-methyl-4-[methyl(pyridin-4-yl)sulfamoyl]benzenecarbothioamide
CID 106998658

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(3-methyl-4-pyridinyl)sulfamoyl]benzenecarbothioamide?
The IUPAC name of 3-methyl-4-[(3-methyl-4-pyridinyl)sulfamoyl]benzenecarbothioamide (CID 106998225) is 3-methyl-4-[(3-methyl-4-pyridinyl)sulfamoyl]benzenecarbothioamide.
What is the SMILES notation for 3-methyl-4-[(3-methyl-4-pyridinyl)sulfamoyl]benzenecarbothioamide?
The canonical SMILES for 3-methyl-4-[(3-methyl-4-pyridinyl)sulfamoyl]benzenecarbothioamide is Cc1cnccc1NS(=O)(=O)c1ccc(C(N)=S)cc1C.
What is the InChIKey of 3-methyl-4-[(3-methyl-4-pyridinyl)sulfamoyl]benzenecarbothioamide?
The InChIKey is WVQNHKDCMJJCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S2/c1-9-7-11(14(15)20)3-4-13(9)21(18,19)17-12-5-6-16-8-10(12)2/h3-8H,1-2H3,(H2,15,20)(H,16,17).
What are the key properties of 3-methyl-4-[(3-methyl-4-pyridinyl)sulfamoyl]benzenecarbothioamide?
3-methyl-4-[(3-methyl-4-pyridinyl)sulfamoyl]benzenecarbothioamide has a molecular weight of 321.43 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(3-methyl-4-pyridinyl)sulfamoyl]benzenecarbothioamide is sourced from PubChem (CID 106998225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).