N-(benzenesulfonamidocarbamothioyl)-4-nitrobenzamide

C14H12N4O5S2 — CID 3138395

IUPACN-(benzenesulfonamidocarbamothioyl)-4-nitrobenzamide
SMILESO=C(NC(=S)NNS(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H12N4O5S2/c19-13(10-6-8-11(9-7-10)18(20)21)15-14(24)16-17-25(22,23)12-4-2-1-3-5-12/h1-9,17H,(H2,15,16,19,24)
InChIKeyDWCYYARQGGUVGK-UHFFFAOYSA-N
MW380.41 g/mol
LogP1.09
Rot. Bonds5

About N-(benzenesulfonamidocarbamothioyl)-4-nitrobenzamide

N-(benzenesulfonamidocarbamothioyl)-4-nitrobenzamide (PubChem CID 3138395) has the molecular formula C14H12N4O5S2 and a molecular weight of 380.41 g/mol. Its IUPAC name is N-(benzenesulfonamidocarbamothioyl)-4-nitrobenzamide.

Molecular Properties

Compound NameN-(benzenesulfonamidocarbamothioyl)-4-nitrobenzamide
PubChem CID3138395
Molecular FormulaC14H12N4O5S2
Molecular Weight380.41 g/mol
Exact Mass380.02
IUPAC NameN-(benzenesulfonamidocarbamothioyl)-4-nitrobenzamide
SMILESO=C(NC(=S)NNS(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H12N4O5S2/c19-13(10-6-8-11(9-7-10)18(20)21)15-14(24)16-17-25(22,23)12-4-2-1-3-5-12/h1-9,17H,(H2,15,16,19,24)
InChIKeyDWCYYARQGGUVGK-UHFFFAOYSA-N
XLogP1.09
TPSA130.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(benzenesulfonamidocarbamothioyl)-4-nitrobenzamide 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

4-nitro-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
CID 3476048
N-{[(4-nitrophenyl)carbamoyl]amino}-4-sulfamoylbenzamide
CID 11164855
1-(4-Acetylphenyl)-3-[(4-nitrophenyl)sulfonylamino]urea
CID 2207232
N'-[(4-fluorophenyl)sulfonyl]-4-nitrobenzohydrazide
CID 3113467
N-({[(3-nitrophenyl)carbonylamino]amino}thioxomethyl)benzamide
CID 3132894
3-nitro-N-[(3-sulfamoylanilino)-sulfanylidenemethyl]benzamide
CID 4122371
N'-(benzenesulfonyl)-4-nitrobenzohydrazide
CID 3102012
N-[N'-(4-Nitro-benzoyl)-hydrazinocarbothioyl]-propionamide
CID 3138324
N-[N'-(4-Nitro-benzoyl)-hydrazinocarbothioyl]-butyramide
CID 3138331
4-Methyl-N-[N'-(4-nitro-benzoyl)-hydrazinocarbothioyl]-benzamide
CID 3138335
4-nitro-N-[(pentanoylamino)carbamothioyl]benzamide
CID 3138340
N-[(hexanoylamino)carbamothioyl]-4-nitrobenzamide
CID 3138341

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonamidocarbamothioyl)-4-nitrobenzamide?
The IUPAC name of N-(benzenesulfonamidocarbamothioyl)-4-nitrobenzamide (CID 3138395) is N-(benzenesulfonamidocarbamothioyl)-4-nitrobenzamide.
What is the SMILES notation for N-(benzenesulfonamidocarbamothioyl)-4-nitrobenzamide?
The canonical SMILES for N-(benzenesulfonamidocarbamothioyl)-4-nitrobenzamide is O=C(NC(=S)NNS(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(benzenesulfonamidocarbamothioyl)-4-nitrobenzamide?
The InChIKey is DWCYYARQGGUVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O5S2/c19-13(10-6-8-11(9-7-10)18(20)21)15-14(24)16-17-25(22,23)12-4-2-1-3-5-12/h1-9,17H,(H2,15,16,19,24).
What are the key properties of N-(benzenesulfonamidocarbamothioyl)-4-nitrobenzamide?
N-(benzenesulfonamidocarbamothioyl)-4-nitrobenzamide has a molecular weight of 380.41 g/mol, XLogP of 1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonamidocarbamothioyl)-4-nitrobenzamide is sourced from PubChem (CID 3138395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).