bis(4-amino-N-pyrimidin-2-ylbenzenesulfonamide) dichloride

C20H20Cl2N8O4S2-2 — CID 18407969

IUPACbis(4-amino-N-pyrimidin-2-ylbenzenesulfonamide) dichloride
SMILESNc1ccc(S(=O)(=O)Nc2ncccn2)cc1.Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1.[Cl-].[Cl-]
InChIInChI=1S/2C10H10N4O2S.2ClH/c2*11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10;;/h2*1-7H,11H2,(H,12,13,14);2*1H/p-2
InChIKeyGXMXSPITGWHCDR-UHFFFAOYSA-L
MW571.47 g/mol
LogP-4.27
Rot. Bonds6

About bis(4-amino-N-pyrimidin-2-ylbenzenesulfonamide) dichloride

bis(4-amino-N-pyrimidin-2-ylbenzenesulfonamide) dichloride (PubChem CID 18407969) has the molecular formula C20H20Cl2N8O4S2-2 and a molecular weight of 571.47 g/mol. Its IUPAC name is bis(4-amino-N-pyrimidin-2-ylbenzenesulfonamide) dichloride.

Molecular Properties

Compound Namebis(4-amino-N-pyrimidin-2-ylbenzenesulfonamide) dichloride
PubChem CID18407969
Molecular FormulaC20H20Cl2N8O4S2-2
Molecular Weight571.47 g/mol
Exact Mass570.04
IUPAC Namebis(4-amino-N-pyrimidin-2-ylbenzenesulfonamide) dichloride
SMILESNc1ccc(S(=O)(=O)Nc2ncccn2)cc1.Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1.[Cl-].[Cl-]
InChIInChI=1S/2C10H10N4O2S.2ClH/c2*11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10;;/h2*1-7H,11H2,(H,12,13,14);2*1H/p-2
InChIKeyGXMXSPITGWHCDR-UHFFFAOYSA-L
XLogP-4.27
TPSA195.94 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.47
LogP ≤ 5-4.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

silver 4-amino-N-pyrimidin-2-ylbenzenesulfonamide
CID 6711387
4-amino-N-pyrimidin-2-ylbenzenesulfonamide;2-hydroxyethyl(trimethyl)azanium
CID 175029093
4-chloro-N-pyrimidin-2-ylbenzenesulfonamide
CID 935725
4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 669150
4-amino-N-(4-methylpyrimidin-2-yl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-sulfonamide
CID 71312514
4-amino-N-pyridin-2-ylbenzenesulfonamide;hydrochloride
CID 68756822
4-tert-butyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683562
4-amino-N-pyridin-2-ylbenzenesulfonamide;molecular nitrogen
CID 174728998
4-(1-aminoethyl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 43111211
zinc;tris(ethane-1,2-diamine);bis([4-(pyrimidin-2-ylsulfamoyl)phenyl]azanide)
CID 10010263
4-amino-N-(1-ethyl-2-oxopyrimidin-4-yl)benzenesulfonamide;4-amino-N-pyrimidin-2-ylbenzenesulfonamide
CID 174831493
4-(methylideneamino)-N-pyrimidin-2-ylbenzenesulfonamide
CID 66656852

Frequently Asked Questions

What is the IUPAC name of bis(4-amino-N-pyrimidin-2-ylbenzenesulfonamide) dichloride?
The IUPAC name of bis(4-amino-N-pyrimidin-2-ylbenzenesulfonamide) dichloride (CID 18407969) is bis(4-amino-N-pyrimidin-2-ylbenzenesulfonamide) dichloride.
What is the SMILES notation for bis(4-amino-N-pyrimidin-2-ylbenzenesulfonamide) dichloride?
The canonical SMILES for bis(4-amino-N-pyrimidin-2-ylbenzenesulfonamide) dichloride is Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1.Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1.[Cl-].[Cl-].
What is the InChIKey of bis(4-amino-N-pyrimidin-2-ylbenzenesulfonamide) dichloride?
The InChIKey is GXMXSPITGWHCDR-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H10N4O2S.2ClH/c2*11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10;;/h2*1-7H,11H2,(H,12,13,14);2*1H/p-2.
What are the key properties of bis(4-amino-N-pyrimidin-2-ylbenzenesulfonamide) dichloride?
bis(4-amino-N-pyrimidin-2-ylbenzenesulfonamide) dichloride has a molecular weight of 571.47 g/mol, XLogP of -4.27, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-amino-N-pyrimidin-2-ylbenzenesulfonamide) dichloride is sourced from PubChem (CID 18407969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).