4-[[2,7-diamino-5-(4-bromophenyl)-6-cyanopyrazolo[1,5-a]pyrimidin-3-yl]diazenyl]benzenesulfonamide

C19H14BrN9O2S — CID 162395480

IUPAC4-[[2,7-diamino-5-(4-bromophenyl)-6-cyanopyrazolo[1,5-a]pyrimidin-3-yl]diazenyl]benzenesulfonamide
SMILESN#Cc1c(-c2ccc(Br)cc2)nc2c(/N=N/c3ccc(S(N)(=O)=O)cc3)c(N)nn2c1N
InChIInChI=1S/C19H14BrN9O2S/c20-11-3-1-10(2-4-11)15-14(9-21)18(23)29-19(25-15)16(17(22)28-29)27-26-12-5-7-13(8-6-12)32(24,30)31/h1-8H,23H2,(H2,22,28)(H2,24,30,31)/b27-26+
InChIKeyGOYOUJUULDCBIC-CYYJNZCTSA-N
MW512.35 g/mol
LogP3.26
Rot. Bonds4

About 4-[[2,7-diamino-5-(4-bromophenyl)-6-cyanopyrazolo[1,5-a]pyrimidin-3-yl]diazenyl]benzenesulfonamide

4-[[2,7-diamino-5-(4-bromophenyl)-6-cyanopyrazolo[1,5-a]pyrimidin-3-yl]diazenyl]benzenesulfonamide (PubChem CID 162395480) has the molecular formula C19H14BrN9O2S and a molecular weight of 512.35 g/mol. Its IUPAC name is 4-[[2,7-diamino-5-(4-bromophenyl)-6-cyanopyrazolo[1,5-a]pyrimidin-3-yl]diazenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[2,7-diamino-5-(4-bromophenyl)-6-cyanopyrazolo[1,5-a]pyrimidin-3-yl]diazenyl]benzenesulfonamide
PubChem CID162395480
Molecular FormulaC19H14BrN9O2S
Molecular Weight512.35 g/mol
Exact Mass511.02
IUPAC Name4-[[2,7-diamino-5-(4-bromophenyl)-6-cyanopyrazolo[1,5-a]pyrimidin-3-yl]diazenyl]benzenesulfonamide
SMILESN#Cc1c(-c2ccc(Br)cc2)nc2c(/N=N/c3ccc(S(N)(=O)=O)cc3)c(N)nn2c1N
InChIInChI=1S/C19H14BrN9O2S/c20-11-3-1-10(2-4-11)15-14(9-21)18(23)29-19(25-15)16(17(22)28-29)27-26-12-5-7-13(8-6-12)32(24,30)31/h1-8H,23H2,(H2,22,28)(H2,24,30,31)/b27-26+
InChIKeyGOYOUJUULDCBIC-CYYJNZCTSA-N
XLogP3.26
TPSA190.90 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.35
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-[[2,7-diamino-5-(4-bromophenyl)-6-cyanopyrazolo[1,5-a]pyrimidin-3-yl]diazenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[2,7-diamino-5-(4-bromophenyl)-6-cyanopyrazolo[1,5-a]pyrimidin-3-yl]diazenyl]benzenesulfonamide?
The IUPAC name of 4-[[2,7-diamino-5-(4-bromophenyl)-6-cyanopyrazolo[1,5-a]pyrimidin-3-yl]diazenyl]benzenesulfonamide (CID 162395480) is 4-[[2,7-diamino-5-(4-bromophenyl)-6-cyanopyrazolo[1,5-a]pyrimidin-3-yl]diazenyl]benzenesulfonamide.
What is the SMILES notation for 4-[[2,7-diamino-5-(4-bromophenyl)-6-cyanopyrazolo[1,5-a]pyrimidin-3-yl]diazenyl]benzenesulfonamide?
The canonical SMILES for 4-[[2,7-diamino-5-(4-bromophenyl)-6-cyanopyrazolo[1,5-a]pyrimidin-3-yl]diazenyl]benzenesulfonamide is N#Cc1c(-c2ccc(Br)cc2)nc2c(/N=N/c3ccc(S(N)(=O)=O)cc3)c(N)nn2c1N.
What is the InChIKey of 4-[[2,7-diamino-5-(4-bromophenyl)-6-cyanopyrazolo[1,5-a]pyrimidin-3-yl]diazenyl]benzenesulfonamide?
The InChIKey is GOYOUJUULDCBIC-CYYJNZCTSA-N. The full InChI is InChI=1S/C19H14BrN9O2S/c20-11-3-1-10(2-4-11)15-14(9-21)18(23)29-19(25-15)16(17(22)28-29)27-26-12-5-7-13(8-6-12)32(24,30)31/h1-8H,23H2,(H2,22,28)(H2,24,30,31)/b27-26+.
What are the key properties of 4-[[2,7-diamino-5-(4-bromophenyl)-6-cyanopyrazolo[1,5-a]pyrimidin-3-yl]diazenyl]benzenesulfonamide?
4-[[2,7-diamino-5-(4-bromophenyl)-6-cyanopyrazolo[1,5-a]pyrimidin-3-yl]diazenyl]benzenesulfonamide has a molecular weight of 512.35 g/mol, XLogP of 3.26, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2,7-diamino-5-(4-bromophenyl)-6-cyanopyrazolo[1,5-a]pyrimidin-3-yl]diazenyl]benzenesulfonamide is sourced from PubChem (CID 162395480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).