4-[[3,5-diamino-1-(4-sulfamoylphenyl)pyrazol-4-yl]diazenyl]benzenesulfonamide

C15H16N8O4S2 — CID 171344571

IUPAC4-[[3,5-diamino-1-(4-sulfamoylphenyl)pyrazol-4-yl]diazenyl]benzenesulfonamide
SMILESNc1nn(-c2ccc(S(N)(=O)=O)cc2)c(N)c1/N=N/c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H16N8O4S2/c16-14-13(21-20-9-1-5-11(6-2-9)28(18,24)25)15(17)23(22-14)10-3-7-12(8-4-10)29(19,26)27/h1-8H,17H2,(H2,16,22)(H2,18,24,25)(H2,19,26,27)/b21-20+
InChIKeyIBFIAYASPZANSM-QZQOTICOSA-N
MW436.48 g/mol
LogP0.75
Rot. Bonds5

About 4-[[3,5-diamino-1-(4-sulfamoylphenyl)pyrazol-4-yl]diazenyl]benzenesulfonamide

4-[[3,5-diamino-1-(4-sulfamoylphenyl)pyrazol-4-yl]diazenyl]benzenesulfonamide (PubChem CID 171344571) has the molecular formula C15H16N8O4S2 and a molecular weight of 436.48 g/mol. Its IUPAC name is 4-[[3,5-diamino-1-(4-sulfamoylphenyl)pyrazol-4-yl]diazenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[3,5-diamino-1-(4-sulfamoylphenyl)pyrazol-4-yl]diazenyl]benzenesulfonamide
PubChem CID171344571
Molecular FormulaC15H16N8O4S2
Molecular Weight436.48 g/mol
Exact Mass436.07
IUPAC Name4-[[3,5-diamino-1-(4-sulfamoylphenyl)pyrazol-4-yl]diazenyl]benzenesulfonamide
SMILESNc1nn(-c2ccc(S(N)(=O)=O)cc2)c(N)c1/N=N/c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H16N8O4S2/c16-14-13(21-20-9-1-5-11(6-2-9)28(18,24)25)15(17)23(22-14)10-3-7-12(8-4-10)29(19,26)27/h1-8H,17H2,(H2,16,22)(H2,18,24,25)(H2,19,26,27)/b21-20+
InChIKeyIBFIAYASPZANSM-QZQOTICOSA-N
XLogP0.75
TPSA214.90 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 50.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-[[5-amino-3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]diazenyl]benzenesulfonic acid
CID 137086530
4-[5-isocyano-4-[(4-methoxyphenyl)diazenyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonamide
CID 136592145
4-(3-aminopyrazol-1-yl)benzenesulfonamide
CID 61176767
4-(tetrazol-1-yl)benzenesulfonamide
CID 1239248
4-[3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]benzenesulfonamide
CID 10316466
4-(3-amino-4-oxo-5H-pyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide
CID 135599991
4-[(4-butoxyphenyl)diazenyl]benzenesulfonamide
CID 3089332
4-[(4-amino-2-methylphenyl)diazenyl]benzenesulfonamide
CID 175543778
4-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]-N-(2-phenylpyrazol-3-yl)benzenesulfonamide
CID 135867642
4-[(6-hydroxyquinolin-5-yl)diazenyl]benzenesulfonamide
CID 171904859
4-[5-(4-bromophenyl)-3-methyl-1,2,4-triazol-1-yl]benzenesulfonamide
CID 10150664
4-[(4-aminonaphthalen-1-yl)diazenyl]benzenesulfonamide
CID 2725202

Frequently Asked Questions

What is the IUPAC name of 4-[[3,5-diamino-1-(4-sulfamoylphenyl)pyrazol-4-yl]diazenyl]benzenesulfonamide?
The IUPAC name of 4-[[3,5-diamino-1-(4-sulfamoylphenyl)pyrazol-4-yl]diazenyl]benzenesulfonamide (CID 171344571) is 4-[[3,5-diamino-1-(4-sulfamoylphenyl)pyrazol-4-yl]diazenyl]benzenesulfonamide.
What is the SMILES notation for 4-[[3,5-diamino-1-(4-sulfamoylphenyl)pyrazol-4-yl]diazenyl]benzenesulfonamide?
The canonical SMILES for 4-[[3,5-diamino-1-(4-sulfamoylphenyl)pyrazol-4-yl]diazenyl]benzenesulfonamide is Nc1nn(-c2ccc(S(N)(=O)=O)cc2)c(N)c1/N=N/c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[[3,5-diamino-1-(4-sulfamoylphenyl)pyrazol-4-yl]diazenyl]benzenesulfonamide?
The InChIKey is IBFIAYASPZANSM-QZQOTICOSA-N. The full InChI is InChI=1S/C15H16N8O4S2/c16-14-13(21-20-9-1-5-11(6-2-9)28(18,24)25)15(17)23(22-14)10-3-7-12(8-4-10)29(19,26)27/h1-8H,17H2,(H2,16,22)(H2,18,24,25)(H2,19,26,27)/b21-20+.
What are the key properties of 4-[[3,5-diamino-1-(4-sulfamoylphenyl)pyrazol-4-yl]diazenyl]benzenesulfonamide?
4-[[3,5-diamino-1-(4-sulfamoylphenyl)pyrazol-4-yl]diazenyl]benzenesulfonamide has a molecular weight of 436.48 g/mol, XLogP of 0.75, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3,5-diamino-1-(4-sulfamoylphenyl)pyrazol-4-yl]diazenyl]benzenesulfonamide is sourced from PubChem (CID 171344571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).