N-(4-sulfamoylphenyl)-3-sulfanylpropanamide

C9H12N2O3S2 — CID 23645365

IUPACN-(4-sulfamoylphenyl)-3-sulfanylpropanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CCS)cc1
InChIInChI=1S/C9H12N2O3S2/c10-16(13,14)8-3-1-7(2-4-8)11-9(12)5-6-15/h1-4,15H,5-6H2,(H,11,12)(H2,10,13,14)
InChIKeyQGPJKQACZFKJBW-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.59
Rot. Bonds4

About N-(4-sulfamoylphenyl)-3-sulfanylpropanamide

N-(4-sulfamoylphenyl)-3-sulfanylpropanamide (PubChem CID 23645365) has the molecular formula C9H12N2O3S2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(4-sulfamoylphenyl)-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-sulfamoylphenyl)-3-sulfanylpropanamide
PubChem CID23645365
Molecular FormulaC9H12N2O3S2
Molecular Weight260.34 g/mol
Exact Mass260.03
IUPAC NameN-(4-sulfamoylphenyl)-3-sulfanylpropanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CCS)cc1
InChIInChI=1S/C9H12N2O3S2/c10-16(13,14)8-3-1-7(2-4-8)11-9(12)5-6-15/h1-4,15H,5-6H2,(H,11,12)(H2,10,13,14)
InChIKeyQGPJKQACZFKJBW-UHFFFAOYSA-N
XLogP0.59
TPSA89.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

Sulfacetamide
CID 5320
N4-Acetylsulfanilamide
CID 8482
Monoacetyldapsone
CID 11257
N-Acetylsulfanilyl chloride
CID 8481
Sodium Sulfacetamide
CID 4022878
Carbamic acid, [[4-(acetylamino)phenyl]sulfonyl]-, methyl ester
CID 607662
Sulfasuccinamide
CID 60582
4'-Mercaptoacetanilide
CID 70777
Potassium 4-acetoacetylaminobenzenesulphonate
CID 23674215
Carbasulam
CID 15679
4-(2,5-Dioxo-1-pyrrolidinyl)benzenesulfonamide
CID 79611
N-(4-(pyrrolidine-1-sulfonyl)phenyl)prop-2-enamide
CID 43405474

Frequently Asked Questions

What is the IUPAC name of N-(4-sulfamoylphenyl)-3-sulfanylpropanamide?
The IUPAC name of N-(4-sulfamoylphenyl)-3-sulfanylpropanamide (CID 23645365) is N-(4-sulfamoylphenyl)-3-sulfanylpropanamide.
What is the SMILES notation for N-(4-sulfamoylphenyl)-3-sulfanylpropanamide?
The canonical SMILES for N-(4-sulfamoylphenyl)-3-sulfanylpropanamide is NS(=O)(=O)c1ccc(NC(=O)CCS)cc1.
What is the InChIKey of N-(4-sulfamoylphenyl)-3-sulfanylpropanamide?
The InChIKey is QGPJKQACZFKJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S2/c10-16(13,14)8-3-1-7(2-4-8)11-9(12)5-6-15/h1-4,15H,5-6H2,(H,11,12)(H2,10,13,14).
What are the key properties of N-(4-sulfamoylphenyl)-3-sulfanylpropanamide?
N-(4-sulfamoylphenyl)-3-sulfanylpropanamide has a molecular weight of 260.34 g/mol, XLogP of 0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-sulfamoylphenyl)-3-sulfanylpropanamide is sourced from PubChem (CID 23645365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).