3-methyl-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide

C15H15N3O3S2 — CID 905210

IUPAC3-methyl-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
SMILESCc1cccc(C(=O)NC(=S)Nc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C15H15N3O3S2/c1-10-3-2-4-11(9-10)14(19)18-15(22)17-12-5-7-13(8-6-12)23(16,20)21/h2-9H,1H3,(H2,16,20,21)(H2,17,18,19,22)
InChIKeyUEISUQSKOHDXLD-UHFFFAOYSA-N
MW349.44 g/mol
LogP1.77
Rot. Bonds3

About 3-methyl-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide

3-methyl-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide (PubChem CID 905210) has the molecular formula C15H15N3O3S2 and a molecular weight of 349.44 g/mol. Its IUPAC name is 3-methyl-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
PubChem CID905210
Molecular FormulaC15H15N3O3S2
Molecular Weight349.44 g/mol
Exact Mass349.06
IUPAC Name3-methyl-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
SMILESCc1cccc(C(=O)NC(=S)Nc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C15H15N3O3S2/c1-10-3-2-4-11(9-10)14(19)18-15(22)17-12-5-7-13(8-6-12)23(16,20)21/h2-9H,1H3,(H2,16,20,21)(H2,17,18,19,22)
InChIKeyUEISUQSKOHDXLD-UHFFFAOYSA-N
XLogP1.77
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide?
The IUPAC name of 3-methyl-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide (CID 905210) is 3-methyl-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide.
What is the SMILES notation for 3-methyl-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide?
The canonical SMILES for 3-methyl-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide is Cc1cccc(C(=O)NC(=S)Nc2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 3-methyl-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide?
The InChIKey is UEISUQSKOHDXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S2/c1-10-3-2-4-11(9-10)14(19)18-15(22)17-12-5-7-13(8-6-12)23(16,20)21/h2-9H,1H3,(H2,16,20,21)(H2,17,18,19,22).
What are the key properties of 3-methyl-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide?
3-methyl-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide has a molecular weight of 349.44 g/mol, XLogP of 1.77, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 905210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).