sodium N'-(4-aminophenyl)sulfonylcarbamimidate

C7H8N3NaO3S — CID 138399650

IUPACsodium N'-(4-aminophenyl)sulfonylcarbamimidate
SMILESN/C([O-])=N\S(=O)(=O)c1ccc(N)cc1.[Na+]
InChIInChI=1S/C7H9N3O3S.Na/c8-5-1-3-6(4-2-5)14(12,13)10-7(9)11;/h1-4H,8H2,(H3,9,10,11);/q;+1/p-1
InChIKeyFJTJOTPCVYLEBW-UHFFFAOYSA-M
MW237.22 g/mol
LogP-4.36
Rot. Bonds2

About sodium N'-(4-aminophenyl)sulfonylcarbamimidate

sodium N'-(4-aminophenyl)sulfonylcarbamimidate (PubChem CID 138399650) has the molecular formula C7H8N3NaO3S and a molecular weight of 237.22 g/mol. Its IUPAC name is sodium N'-(4-aminophenyl)sulfonylcarbamimidate.

Molecular Properties

Compound Namesodium N'-(4-aminophenyl)sulfonylcarbamimidate
PubChem CID138399650
Molecular FormulaC7H8N3NaO3S
Molecular Weight237.22 g/mol
Exact Mass237.02
IUPAC Namesodium N'-(4-aminophenyl)sulfonylcarbamimidate
SMILESN/C([O-])=N\S(=O)(=O)c1ccc(N)cc1.[Na+]
InChIInChI=1S/C7H9N3O3S.Na/c8-5-1-3-6(4-2-5)14(12,13)10-7(9)11;/h1-4H,8H2,(H3,9,10,11);/q;+1/p-1
InChIKeyFJTJOTPCVYLEBW-UHFFFAOYSA-M
XLogP-4.36
TPSA121.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 5-4.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N'-(4-aminophenyl)sulfonyl-3-hydroxybut-2-enimidamide
CID 168720535
4-amino-N-[bis(methylsulfanyl)methylidene]benzenesulfonamide;methyl ethanedithioate
CID 2754724
N'-(4-aminophenyl)sulfonylpyrazine-2-carboximidamide
CID 72682316
4-amino-N-(oxomethylidene)benzenesulfonamide
CID 154122066
(1Z)-N-(4-aminophenyl)sulfonyl-4-propan-2-yloxybenzenecarboximidate
CID 56696846
4-aminobenzenesulfonamide;2-(4-sulfamoylphenyl)guanidine
CID 69140999
4-aminobenzenesulfonic acid;copper
CID 174792931
sodium;4-aminobenzenesulfonamide;hydride
CID 173094657
sodium N-[5-amino-2-(4-aminophenyl)sulfonylphenyl]sulfonylethanimidate
CID 74084511
4-(4-aminophenyl)sulfonylaniline;dihydroiodide
CID 24833766
acetamide;4-aminobenzenesulfonamide
CID 175093651
methyl N'-(4-methylphenyl)sulfonylcarbamimidothioate
CID 5368528

Frequently Asked Questions

What is the IUPAC name of sodium N'-(4-aminophenyl)sulfonylcarbamimidate?
The IUPAC name of sodium N'-(4-aminophenyl)sulfonylcarbamimidate (CID 138399650) is sodium N'-(4-aminophenyl)sulfonylcarbamimidate.
What is the SMILES notation for sodium N'-(4-aminophenyl)sulfonylcarbamimidate?
The canonical SMILES for sodium N'-(4-aminophenyl)sulfonylcarbamimidate is N/C([O-])=N\S(=O)(=O)c1ccc(N)cc1.[Na+].
What is the InChIKey of sodium N'-(4-aminophenyl)sulfonylcarbamimidate?
The InChIKey is FJTJOTPCVYLEBW-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H9N3O3S.Na/c8-5-1-3-6(4-2-5)14(12,13)10-7(9)11;/h1-4H,8H2,(H3,9,10,11);/q;+1/p-1.
What are the key properties of sodium N'-(4-aminophenyl)sulfonylcarbamimidate?
sodium N'-(4-aminophenyl)sulfonylcarbamimidate has a molecular weight of 237.22 g/mol, XLogP of -4.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N'-(4-aminophenyl)sulfonylcarbamimidate is sourced from PubChem (CID 138399650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).