4-aminobenzenesulfonamide;2-(4-sulfamoylphenyl)guanidine

C13H18N6O4S2 — CID 69140999

IUPAC4-aminobenzenesulfonamide;2-(4-sulfamoylphenyl)guanidine
SMILESNC(N)=Nc1ccc(S(N)(=O)=O)cc1.Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C7H10N4O2S.C6H8N2O2S/c8-7(9)11-5-1-3-6(4-2-5)14(10,12)13;7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H4,8,9,11)(H2,10,12,13);1-4H,7H2,(H2,8,9,10)
InChIKeyNLYLUJNCJJAGAA-UHFFFAOYSA-N
MW386.46 g/mol
LogP-0.84
Rot. Bonds3

About 4-aminobenzenesulfonamide;2-(4-sulfamoylphenyl)guanidine

4-aminobenzenesulfonamide;2-(4-sulfamoylphenyl)guanidine (PubChem CID 69140999) has the molecular formula C13H18N6O4S2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 4-aminobenzenesulfonamide;2-(4-sulfamoylphenyl)guanidine.

Molecular Properties

Compound Name4-aminobenzenesulfonamide;2-(4-sulfamoylphenyl)guanidine
PubChem CID69140999
Molecular FormulaC13H18N6O4S2
Molecular Weight386.46 g/mol
Exact Mass386.08
IUPAC Name4-aminobenzenesulfonamide;2-(4-sulfamoylphenyl)guanidine
SMILESNC(N)=Nc1ccc(S(N)(=O)=O)cc1.Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C7H10N4O2S.C6H8N2O2S/c8-7(9)11-5-1-3-6(4-2-5)14(10,12)13;7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H4,8,9,11)(H2,10,12,13);1-4H,7H2,(H2,8,9,10)
InChIKeyNLYLUJNCJJAGAA-UHFFFAOYSA-N
XLogP-0.84
TPSA210.74 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 5-0.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

CID 159358457
CID 159358457
acetamide;4-aminobenzenesulfonamide
CID 175093651
sodium;4-aminobenzenesulfonamide;hydride
CID 173094657
4-aminobenzenesulfonamide;fluoromethane
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4-aminobenzenesulfonamide;azanylidyneazanium
CID 21219865
N'-(4-sulfamoylphenyl)benzenecarboximidamide
CID 55159197
4-aminobenzenesulfonamide;fluoroform
CID 121362415
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CID 10342645
3-(4-sulfamoylphenyl)propyl 4-(diaminomethylideneamino)benzoate
CID 57220716
4-acetylbenzenesulfonamide;4-aminobenzenesulfonamide
CID 158952098
4-aminobenzenesulfonamide;3-methylbenzene-1,2-diol
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Frequently Asked Questions

What is the IUPAC name of 4-aminobenzenesulfonamide;2-(4-sulfamoylphenyl)guanidine?
The IUPAC name of 4-aminobenzenesulfonamide;2-(4-sulfamoylphenyl)guanidine (CID 69140999) is 4-aminobenzenesulfonamide;2-(4-sulfamoylphenyl)guanidine.
What is the SMILES notation for 4-aminobenzenesulfonamide;2-(4-sulfamoylphenyl)guanidine?
The canonical SMILES for 4-aminobenzenesulfonamide;2-(4-sulfamoylphenyl)guanidine is NC(N)=Nc1ccc(S(N)(=O)=O)cc1.Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-aminobenzenesulfonamide;2-(4-sulfamoylphenyl)guanidine?
The InChIKey is NLYLUJNCJJAGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2S.C6H8N2O2S/c8-7(9)11-5-1-3-6(4-2-5)14(10,12)13;7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H4,8,9,11)(H2,10,12,13);1-4H,7H2,(H2,8,9,10).
What are the key properties of 4-aminobenzenesulfonamide;2-(4-sulfamoylphenyl)guanidine?
4-aminobenzenesulfonamide;2-(4-sulfamoylphenyl)guanidine has a molecular weight of 386.46 g/mol, XLogP of -0.84, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobenzenesulfonamide;2-(4-sulfamoylphenyl)guanidine is sourced from PubChem (CID 69140999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).