4-[[6-amino-2-(4-chlorophenyl)-5H-imidazo[1,2-b]pyrazol-7-yl]diazenyl]benzenesulfonamide

C17H14ClN7O2S — CID 162394960

IUPAC4-[[6-amino-2-(4-chlorophenyl)-5H-imidazo[1,2-b]pyrazol-7-yl]diazenyl]benzenesulfonamide
SMILESNc1[nH]n2cc(-c3ccc(Cl)cc3)nc2c1/N=N/c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H14ClN7O2S/c18-11-3-1-10(2-4-11)14-9-25-17(21-14)15(16(19)24-25)23-22-12-5-7-13(8-6-12)28(20,26)27/h1-9,24H,19H2,(H2,20,26,27)/b23-22+
InChIKeyGTLWRAOWUYCJOH-GHVJWSGMSA-N
MW415.87 g/mol
LogP3.63
Rot. Bonds4

About 4-[[6-amino-2-(4-chlorophenyl)-5H-imidazo[1,2-b]pyrazol-7-yl]diazenyl]benzenesulfonamide

4-[[6-amino-2-(4-chlorophenyl)-5H-imidazo[1,2-b]pyrazol-7-yl]diazenyl]benzenesulfonamide (PubChem CID 162394960) has the molecular formula C17H14ClN7O2S and a molecular weight of 415.87 g/mol. Its IUPAC name is 4-[[6-amino-2-(4-chlorophenyl)-5H-imidazo[1,2-b]pyrazol-7-yl]diazenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[6-amino-2-(4-chlorophenyl)-5H-imidazo[1,2-b]pyrazol-7-yl]diazenyl]benzenesulfonamide
PubChem CID162394960
Molecular FormulaC17H14ClN7O2S
Molecular Weight415.87 g/mol
Exact Mass415.06
IUPAC Name4-[[6-amino-2-(4-chlorophenyl)-5H-imidazo[1,2-b]pyrazol-7-yl]diazenyl]benzenesulfonamide
SMILESNc1[nH]n2cc(-c3ccc(Cl)cc3)nc2c1/N=N/c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H14ClN7O2S/c18-11-3-1-10(2-4-11)14-9-25-17(21-14)15(16(19)24-25)23-22-12-5-7-13(8-6-12)28(20,26)27/h1-9,24H,19H2,(H2,20,26,27)/b23-22+
InChIKeyGTLWRAOWUYCJOH-GHVJWSGMSA-N
XLogP3.63
TPSA143.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.87
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-amino-2-(4-chlorophenyl)-5H-imidazo[1,2-b]pyrazol-7-yl]diazenyl]benzenesulfonamide?
The IUPAC name of 4-[[6-amino-2-(4-chlorophenyl)-5H-imidazo[1,2-b]pyrazol-7-yl]diazenyl]benzenesulfonamide (CID 162394960) is 4-[[6-amino-2-(4-chlorophenyl)-5H-imidazo[1,2-b]pyrazol-7-yl]diazenyl]benzenesulfonamide.
What is the SMILES notation for 4-[[6-amino-2-(4-chlorophenyl)-5H-imidazo[1,2-b]pyrazol-7-yl]diazenyl]benzenesulfonamide?
The canonical SMILES for 4-[[6-amino-2-(4-chlorophenyl)-5H-imidazo[1,2-b]pyrazol-7-yl]diazenyl]benzenesulfonamide is Nc1[nH]n2cc(-c3ccc(Cl)cc3)nc2c1/N=N/c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[[6-amino-2-(4-chlorophenyl)-5H-imidazo[1,2-b]pyrazol-7-yl]diazenyl]benzenesulfonamide?
The InChIKey is GTLWRAOWUYCJOH-GHVJWSGMSA-N. The full InChI is InChI=1S/C17H14ClN7O2S/c18-11-3-1-10(2-4-11)14-9-25-17(21-14)15(16(19)24-25)23-22-12-5-7-13(8-6-12)28(20,26)27/h1-9,24H,19H2,(H2,20,26,27)/b23-22+.
What are the key properties of 4-[[6-amino-2-(4-chlorophenyl)-5H-imidazo[1,2-b]pyrazol-7-yl]diazenyl]benzenesulfonamide?
4-[[6-amino-2-(4-chlorophenyl)-5H-imidazo[1,2-b]pyrazol-7-yl]diazenyl]benzenesulfonamide has a molecular weight of 415.87 g/mol, XLogP of 3.63, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-amino-2-(4-chlorophenyl)-5H-imidazo[1,2-b]pyrazol-7-yl]diazenyl]benzenesulfonamide is sourced from PubChem (CID 162394960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).