2-anilino-N-(4-sulfamoylphenyl)-2-sulfanylideneacetamide

C14H13N3O3S2 — CID 25049375

IUPAC2-anilino-N-(4-sulfamoylphenyl)-2-sulfanylideneacetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)C(=S)Nc2ccccc2)cc1
InChIInChI=1S/C14H13N3O3S2/c15-22(19,20)12-8-6-11(7-9-12)16-13(18)14(21)17-10-4-2-1-3-5-10/h1-9H,(H,16,18)(H,17,21)(H2,15,19,20)
InChIKeyQHLOGIKGMUOFGV-UHFFFAOYSA-N
MW335.41 g/mol
LogP1.71
Rot. Bonds3

About 2-anilino-N-(4-sulfamoylphenyl)-2-sulfanylideneacetamide

2-anilino-N-(4-sulfamoylphenyl)-2-sulfanylideneacetamide (PubChem CID 25049375) has the molecular formula C14H13N3O3S2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-anilino-N-(4-sulfamoylphenyl)-2-sulfanylideneacetamide.

Molecular Properties

Compound Name2-anilino-N-(4-sulfamoylphenyl)-2-sulfanylideneacetamide
PubChem CID25049375
Molecular FormulaC14H13N3O3S2
Molecular Weight335.41 g/mol
Exact Mass335.04
IUPAC Name2-anilino-N-(4-sulfamoylphenyl)-2-sulfanylideneacetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)C(=S)Nc2ccccc2)cc1
InChIInChI=1S/C14H13N3O3S2/c15-22(19,20)12-8-6-11(7-9-12)16-13(18)14(21)17-10-4-2-1-3-5-10/h1-9H,(H,16,18)(H,17,21)(H2,15,19,20)
InChIKeyQHLOGIKGMUOFGV-UHFFFAOYSA-N
XLogP1.71
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-anilino-N-(4-bromophenyl)-2-sulfanylideneacetamide
CID 717412
2-anilino-N-(4-nitrophenyl)-2-sulfanylideneacetamide
CID 17385609
N'-benzhydryl-N-(4-sulfamoylphenyl)oxamide
CID 108507971
2-[2-[(2-anilino-2-oxoethanethioyl)amino]anilino]-N-phenyl-2-sulfanylideneacetamide
CID 44665432
N'-methyl-N'-phenyl-N-(4-sulfamoylphenyl)oxamide
CID 108508706
N-(4-fluorophenyl)-N'-(4-sulfamoylphenyl)oxamide
CID 108508654
2,2-diphenyl-N-[(4-sulfamoylphenyl)carbamothioyl]acetamide
CID 1300022
N'-(2,6-dimethylphenyl)-N-(4-sulfamoylphenyl)oxamide
CID 108508841
2-hydrazinyl-N-(4-sulfamoylphenyl)benzamide
CID 62234840
1-(2-iodophenyl)-3-(4-sulfamoylphenyl)urea
CID 68630610
3-amino-N-(4-sulfamoylphenyl)propanamide
CID 10776616
1-phenyl-3-[4-[(1R)-1-[(4-sulfamoylphenyl)carbamoylamino]ethyl]phenyl]urea
CID 52504623

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(4-sulfamoylphenyl)-2-sulfanylideneacetamide?
The IUPAC name of 2-anilino-N-(4-sulfamoylphenyl)-2-sulfanylideneacetamide (CID 25049375) is 2-anilino-N-(4-sulfamoylphenyl)-2-sulfanylideneacetamide.
What is the SMILES notation for 2-anilino-N-(4-sulfamoylphenyl)-2-sulfanylideneacetamide?
The canonical SMILES for 2-anilino-N-(4-sulfamoylphenyl)-2-sulfanylideneacetamide is NS(=O)(=O)c1ccc(NC(=O)C(=S)Nc2ccccc2)cc1.
What is the InChIKey of 2-anilino-N-(4-sulfamoylphenyl)-2-sulfanylideneacetamide?
The InChIKey is QHLOGIKGMUOFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S2/c15-22(19,20)12-8-6-11(7-9-12)16-13(18)14(21)17-10-4-2-1-3-5-10/h1-9H,(H,16,18)(H,17,21)(H2,15,19,20).
What are the key properties of 2-anilino-N-(4-sulfamoylphenyl)-2-sulfanylideneacetamide?
2-anilino-N-(4-sulfamoylphenyl)-2-sulfanylideneacetamide has a molecular weight of 335.41 g/mol, XLogP of 1.71, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(4-sulfamoylphenyl)-2-sulfanylideneacetamide is sourced from PubChem (CID 25049375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).