(4-sulfamoylanilino)azanium chloride

C6H10ClN3O2S — CID 2736519

IUPAC(4-sulfamoylanilino)azanium chloride
SMILESNS(=O)(=O)c1ccc(N[NH3+])cc1.[Cl-]
InChIInChI=1S/C6H9N3O2S.ClH/c7-9-5-1-3-6(4-2-5)12(8,10)11;/h1-4,9H,7H2,(H2,8,10,11);1H
InChIKeyIKEURONJLPUALY-UHFFFAOYSA-N
MW223.69 g/mol
LogP-4.09
Rot. Bonds2

About (4-sulfamoylanilino)azanium chloride

(4-sulfamoylanilino)azanium chloride (PubChem CID 2736519) has the molecular formula C6H10ClN3O2S and a molecular weight of 223.69 g/mol. Its IUPAC name is (4-sulfamoylanilino)azanium chloride.

Molecular Properties

Compound Name(4-sulfamoylanilino)azanium chloride
PubChem CID2736519
Molecular FormulaC6H10ClN3O2S
Molecular Weight223.69 g/mol
Exact Mass223.02
IUPAC Name(4-sulfamoylanilino)azanium chloride
SMILESNS(=O)(=O)c1ccc(N[NH3+])cc1.[Cl-]
InChIInChI=1S/C6H9N3O2S.ClH/c7-9-5-1-3-6(4-2-5)12(8,10)11;/h1-4,9H,7H2,(H2,8,10,11);1H
InChIKeyIKEURONJLPUALY-UHFFFAOYSA-N
XLogP-4.09
TPSA99.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.69
LogP ≤ 5-4.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-sulfoanilino)azanium chloride
CID 11172143
4-(2-hydroxyethylsulfonylamino)benzenesulfonamide
CID 79026491
4-fluorobenzenesulfonamide;hydroiodide
CID 175106101
1-pyridin-4-yl-3-(4-sulfamoylphenyl)urea
CID 108892683
(4-sulfamoylanilino)thiourea
CID 2826112
4-(3-aminopropylamino)benzenesulfonamide
CID 43453740
CID 159358457
CID 159358457
4-N-fluorobenzene-1,4-disulfonamide
CID 175065506
4-(4-chlorobutylsulfonylamino)benzenesulfonamide
CID 3018484
4-[(6-aminopyrimidin-3-ium-4-yl)amino]benzenesulfonamide chloride
CID 44721563
1-carbamoyl-3-(4-sulfamoylphenyl)urea
CID 86191002
N-(4-fluorophenyl)-N'-(4-sulfamoylphenyl)oxamide
CID 108508654

Frequently Asked Questions

What is the IUPAC name of (4-sulfamoylanilino)azanium chloride?
The IUPAC name of (4-sulfamoylanilino)azanium chloride (CID 2736519) is (4-sulfamoylanilino)azanium chloride.
What is the SMILES notation for (4-sulfamoylanilino)azanium chloride?
The canonical SMILES for (4-sulfamoylanilino)azanium chloride is NS(=O)(=O)c1ccc(N[NH3+])cc1.[Cl-].
What is the InChIKey of (4-sulfamoylanilino)azanium chloride?
The InChIKey is IKEURONJLPUALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S.ClH/c7-9-5-1-3-6(4-2-5)12(8,10)11;/h1-4,9H,7H2,(H2,8,10,11);1H.
What are the key properties of (4-sulfamoylanilino)azanium chloride?
(4-sulfamoylanilino)azanium chloride has a molecular weight of 223.69 g/mol, XLogP of -4.09, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-sulfamoylanilino)azanium chloride is sourced from PubChem (CID 2736519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).