N-[[2-(4-sulfamoylphenyl)hydrazinyl]carbamothioyl]benzamide

C14H15N5O3S2 — CID 141091720

IUPACN-[[2-(4-sulfamoylphenyl)hydrazinyl]carbamothioyl]benzamide
SMILESNS(=O)(=O)c1ccc(NNNC(=S)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C14H15N5O3S2/c15-24(21,22)12-8-6-11(7-9-12)17-19-18-14(23)16-13(20)10-4-2-1-3-5-10/h1-9,17,19H,(H2,15,21,22)(H2,16,18,20,23)
InChIKeyZGVZVMCNTGMDLK-UHFFFAOYSA-N
MW365.44 g/mol
LogP0.47
Rot. Bonds5

About N-[[2-(4-sulfamoylphenyl)hydrazinyl]carbamothioyl]benzamide

N-[[2-(4-sulfamoylphenyl)hydrazinyl]carbamothioyl]benzamide (PubChem CID 141091720) has the molecular formula C14H15N5O3S2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[[2-(4-sulfamoylphenyl)hydrazinyl]carbamothioyl]benzamide.

Molecular Properties

Compound NameN-[[2-(4-sulfamoylphenyl)hydrazinyl]carbamothioyl]benzamide
PubChem CID141091720
Molecular FormulaC14H15N5O3S2
Molecular Weight365.44 g/mol
Exact Mass365.06
IUPAC NameN-[[2-(4-sulfamoylphenyl)hydrazinyl]carbamothioyl]benzamide
SMILESNS(=O)(=O)c1ccc(NNNC(=S)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C14H15N5O3S2/c15-24(21,22)12-8-6-11(7-9-12)17-19-18-14(23)16-13(20)10-4-2-1-3-5-10/h1-9,17,19H,(H2,15,21,22)(H2,16,18,20,23)
InChIKeyZGVZVMCNTGMDLK-UHFFFAOYSA-N
XLogP0.47
TPSA125.35 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 50.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
CID 4627354
4-ethyl-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
CID 17100484
(4-sulfamoylanilino)thiourea
CID 2826112
N-amino-N-(4-sulfamoylanilino)benzamide
CID 175270267
N-(benzoylcarbamothioyl)benzamide;ethene
CID 157078951
3-(2-phenylethoxy)-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
CID 17134594
4-[2-(pyridine-3-carbonyl)hydrazinyl]benzenesulfonamide
CID 10661301
4-benzoylbenzenesulfonamide
CID 70209200
2-anilino-N-(4-sulfamoylphenyl)-2-sulfanylideneacetamide
CID 25049375
2,2-diphenyl-N-[(4-sulfamoylphenyl)carbamothioyl]acetamide
CID 1300022
N-[(1R)-2,2,2-tribromo-1-(4-sulfamoylanilino)ethyl]benzamide
CID 1380220
4-propoxy-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
CID 4938795

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-sulfamoylphenyl)hydrazinyl]carbamothioyl]benzamide?
The IUPAC name of N-[[2-(4-sulfamoylphenyl)hydrazinyl]carbamothioyl]benzamide (CID 141091720) is N-[[2-(4-sulfamoylphenyl)hydrazinyl]carbamothioyl]benzamide.
What is the SMILES notation for N-[[2-(4-sulfamoylphenyl)hydrazinyl]carbamothioyl]benzamide?
The canonical SMILES for N-[[2-(4-sulfamoylphenyl)hydrazinyl]carbamothioyl]benzamide is NS(=O)(=O)c1ccc(NNNC(=S)NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[[2-(4-sulfamoylphenyl)hydrazinyl]carbamothioyl]benzamide?
The InChIKey is ZGVZVMCNTGMDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O3S2/c15-24(21,22)12-8-6-11(7-9-12)17-19-18-14(23)16-13(20)10-4-2-1-3-5-10/h1-9,17,19H,(H2,15,21,22)(H2,16,18,20,23).
What are the key properties of N-[[2-(4-sulfamoylphenyl)hydrazinyl]carbamothioyl]benzamide?
N-[[2-(4-sulfamoylphenyl)hydrazinyl]carbamothioyl]benzamide has a molecular weight of 365.44 g/mol, XLogP of 0.47, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-sulfamoylphenyl)hydrazinyl]carbamothioyl]benzamide is sourced from PubChem (CID 141091720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).