3,4-difluoro-N-(4-phenyldiazenylphenyl)benzenesulfonamide

C18H13F2N3O2S — CID 22774852

IUPAC3,4-difluoro-N-(4-phenyldiazenylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(/N=N/c2ccccc2)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H13F2N3O2S/c19-17-11-10-16(12-18(17)20)26(24,25)23-15-8-6-14(7-9-15)22-21-13-4-2-1-3-5-13/h1-12,23H/b22-21+
InChIKeyNHJFRRJOZXTXLN-QURGRASLSA-N
MW373.38 g/mol
LogP5.18
Rot. Bonds5

About 3,4-difluoro-N-(4-phenyldiazenylphenyl)benzenesulfonamide

3,4-difluoro-N-(4-phenyldiazenylphenyl)benzenesulfonamide (PubChem CID 22774852) has the molecular formula C18H13F2N3O2S and a molecular weight of 373.38 g/mol. Its IUPAC name is 3,4-difluoro-N-(4-phenyldiazenylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-(4-phenyldiazenylphenyl)benzenesulfonamide
PubChem CID22774852
Molecular FormulaC18H13F2N3O2S
Molecular Weight373.38 g/mol
Exact Mass373.07
IUPAC Name3,4-difluoro-N-(4-phenyldiazenylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(/N=N/c2ccccc2)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H13F2N3O2S/c19-17-11-10-16(12-18(17)20)26(24,25)23-15-8-6-14(7-9-15)22-21-13-4-2-1-3-5-13/h1-12,23H/b22-21+
InChIKeyNHJFRRJOZXTXLN-QURGRASLSA-N
XLogP5.18
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.38
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-chloro-N-(4-phenyldiazenylphenyl)benzenesulfonamide
CID 4289928
N-(3,4-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 7788321
3,4-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide
CID 43403537
3-[(4-phenyldiazenylphenyl)sulfamoyl]benzoate
CID 7573875
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-fluorobenzamide
CID 55349327
N-(3-chloro-4-fluorophenyl)-3,4-difluorobenzenesulfonamide
CID 8501061
N-(3,5-dichlorophenyl)-3,4-difluorobenzenesulfonamide
CID 3702957
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-methyl-2-phenylpropanamide
CID 55527551
N-[4-(difluoromethoxy)phenyl]-3,4-difluorobenzenesulfonamide
CID 8504738
4-butan-2-yl-N-(4-phenyldiazenylphenyl)benzenesulfonamide
CID 22774845
5-bromo-6-chloro-N-(4-phenyldiazenylphenyl)pyridine-3-sulfonamide
CID 4730055
N-(3-aminophenyl)-3,4-difluorobenzenesulfonamide
CID 43167024

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(4-phenyldiazenylphenyl)benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-(4-phenyldiazenylphenyl)benzenesulfonamide (CID 22774852) is 3,4-difluoro-N-(4-phenyldiazenylphenyl)benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-(4-phenyldiazenylphenyl)benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-(4-phenyldiazenylphenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(/N=N/c2ccccc2)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-(4-phenyldiazenylphenyl)benzenesulfonamide?
The InChIKey is NHJFRRJOZXTXLN-QURGRASLSA-N. The full InChI is InChI=1S/C18H13F2N3O2S/c19-17-11-10-16(12-18(17)20)26(24,25)23-15-8-6-14(7-9-15)22-21-13-4-2-1-3-5-13/h1-12,23H/b22-21+.
What are the key properties of 3,4-difluoro-N-(4-phenyldiazenylphenyl)benzenesulfonamide?
3,4-difluoro-N-(4-phenyldiazenylphenyl)benzenesulfonamide has a molecular weight of 373.38 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(4-phenyldiazenylphenyl)benzenesulfonamide is sourced from PubChem (CID 22774852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).