4-amino-3-[[4-[4-[(1-amino-4-sulfamoylnaphthalen-2-yl)diazenyl]-3-fluorophenyl]-2-fluorophenyl]diazenyl]naphthalene-1-sulfonamide

C32H24F2N8O4S2 — CID 153382327

IUPAC4-amino-3-[[4-[4-[(1-amino-4-sulfamoylnaphthalen-2-yl)diazenyl]-3-fluorophenyl]-2-fluorophenyl]diazenyl]naphthalene-1-sulfonamide
SMILESNc1c(/N=N/c2ccc(-c3ccc(/N=N/c4cc(S(N)(=O)=O)c5ccccc5c4N)c(F)c3)cc2F)cc(S(N)(=O)=O)c2ccccc12
InChIInChI=1S/C32H24F2N8O4S2/c33-23-13-17(9-11-25(23)39-41-27-15-29(47(37,43)44)19-5-1-3-7-21(19)31(27)35)18-10-12-26(24(34)14-18)40-42-28-16-30(48(38,45)46)20-6-2-4-8-22(20)32(28)36/h1-16H,35-36H2,(H2,37,43,44)(H2,38,45,46)/b41-39+,42-40+
InChIKeyBRXBZWCVHWMKGB-LMXNTIJMSA-N
MW686.73 g/mol
LogP7.23
Rot. Bonds7

About 4-amino-3-[[4-[4-[(1-amino-4-sulfamoylnaphthalen-2-yl)diazenyl]-3-fluorophenyl]-2-fluorophenyl]diazenyl]naphthalene-1-sulfonamide

4-amino-3-[[4-[4-[(1-amino-4-sulfamoylnaphthalen-2-yl)diazenyl]-3-fluorophenyl]-2-fluorophenyl]diazenyl]naphthalene-1-sulfonamide (PubChem CID 153382327) has the molecular formula C32H24F2N8O4S2 and a molecular weight of 686.73 g/mol. Its IUPAC name is 4-amino-3-[[4-[4-[(1-amino-4-sulfamoylnaphthalen-2-yl)diazenyl]-3-fluorophenyl]-2-fluorophenyl]diazenyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-amino-3-[[4-[4-[(1-amino-4-sulfamoylnaphthalen-2-yl)diazenyl]-3-fluorophenyl]-2-fluorophenyl]diazenyl]naphthalene-1-sulfonamide
PubChem CID153382327
Molecular FormulaC32H24F2N8O4S2
Molecular Weight686.73 g/mol
Exact Mass686.13
IUPAC Name4-amino-3-[[4-[4-[(1-amino-4-sulfamoylnaphthalen-2-yl)diazenyl]-3-fluorophenyl]-2-fluorophenyl]diazenyl]naphthalene-1-sulfonamide
SMILESNc1c(/N=N/c2ccc(-c3ccc(/N=N/c4cc(S(N)(=O)=O)c5ccccc5c4N)c(F)c3)cc2F)cc(S(N)(=O)=O)c2ccccc12
InChIInChI=1S/C32H24F2N8O4S2/c33-23-13-17(9-11-25(23)39-41-27-15-29(47(37,43)44)19-5-1-3-7-21(19)31(27)35)18-10-12-26(24(34)14-18)40-42-28-16-30(48(38,45)46)20-6-2-4-8-22(20)32(28)36/h1-16H,35-36H2,(H2,37,43,44)(H2,38,45,46)/b41-39+,42-40+
InChIKeyBRXBZWCVHWMKGB-LMXNTIJMSA-N
XLogP7.23
TPSA221.80 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.73
LogP ≤ 57.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[[4-[4-[(1-amino-4-sulfamoylnaphthalen-2-yl)diazenyl]-3-fluorophenyl]-2-fluorophenyl]diazenyl]naphthalene-1-sulfonamide?
The IUPAC name of 4-amino-3-[[4-[4-[(1-amino-4-sulfamoylnaphthalen-2-yl)diazenyl]-3-fluorophenyl]-2-fluorophenyl]diazenyl]naphthalene-1-sulfonamide (CID 153382327) is 4-amino-3-[[4-[4-[(1-amino-4-sulfamoylnaphthalen-2-yl)diazenyl]-3-fluorophenyl]-2-fluorophenyl]diazenyl]naphthalene-1-sulfonamide.
What is the SMILES notation for 4-amino-3-[[4-[4-[(1-amino-4-sulfamoylnaphthalen-2-yl)diazenyl]-3-fluorophenyl]-2-fluorophenyl]diazenyl]naphthalene-1-sulfonamide?
The canonical SMILES for 4-amino-3-[[4-[4-[(1-amino-4-sulfamoylnaphthalen-2-yl)diazenyl]-3-fluorophenyl]-2-fluorophenyl]diazenyl]naphthalene-1-sulfonamide is Nc1c(/N=N/c2ccc(-c3ccc(/N=N/c4cc(S(N)(=O)=O)c5ccccc5c4N)c(F)c3)cc2F)cc(S(N)(=O)=O)c2ccccc12.
What is the InChIKey of 4-amino-3-[[4-[4-[(1-amino-4-sulfamoylnaphthalen-2-yl)diazenyl]-3-fluorophenyl]-2-fluorophenyl]diazenyl]naphthalene-1-sulfonamide?
The InChIKey is BRXBZWCVHWMKGB-LMXNTIJMSA-N. The full InChI is InChI=1S/C32H24F2N8O4S2/c33-23-13-17(9-11-25(23)39-41-27-15-29(47(37,43)44)19-5-1-3-7-21(19)31(27)35)18-10-12-26(24(34)14-18)40-42-28-16-30(48(38,45)46)20-6-2-4-8-22(20)32(28)36/h1-16H,35-36H2,(H2,37,43,44)(H2,38,45,46)/b41-39+,42-40+.
What are the key properties of 4-amino-3-[[4-[4-[(1-amino-4-sulfamoylnaphthalen-2-yl)diazenyl]-3-fluorophenyl]-2-fluorophenyl]diazenyl]naphthalene-1-sulfonamide?
4-amino-3-[[4-[4-[(1-amino-4-sulfamoylnaphthalen-2-yl)diazenyl]-3-fluorophenyl]-2-fluorophenyl]diazenyl]naphthalene-1-sulfonamide has a molecular weight of 686.73 g/mol, XLogP of 7.23, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[[4-[4-[(1-amino-4-sulfamoylnaphthalen-2-yl)diazenyl]-3-fluorophenyl]-2-fluorophenyl]diazenyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 153382327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).