1-[4-[(4-nitrophenyl)diazenyl]anilino]-N-[4-[(4-nitrophenyl)diazenyl]phenyl]methanesulfonamide

C25H20N8O6S — CID 58743491

IUPAC1-[4-[(4-nitrophenyl)diazenyl]anilino]-N-[4-[(4-nitrophenyl)diazenyl]phenyl]methanesulfonamide
SMILESO=[N+]([O-])c1ccc(/N=N/c2ccc(NCS(=O)(=O)Nc3ccc(/N=N/c4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1
InChIInChI=1S/C25H20N8O6S/c34-32(35)24-13-9-21(10-14-24)29-27-19-3-1-18(2-4-19)26-17-40(38,39)31-23-7-5-20(6-8-23)28-30-22-11-15-25(16-12-22)33(36)37/h1-16,26,31H,17H2/b29-27+,30-28+
InChIKeyXRVPBDJEOWYUOE-QAVVBOBSSA-N
MW560.55 g/mol
LogP7.15
Rot. Bonds11

About 1-[4-[(4-nitrophenyl)diazenyl]anilino]-N-[4-[(4-nitrophenyl)diazenyl]phenyl]methanesulfonamide

1-[4-[(4-nitrophenyl)diazenyl]anilino]-N-[4-[(4-nitrophenyl)diazenyl]phenyl]methanesulfonamide (PubChem CID 58743491) has the molecular formula C25H20N8O6S and a molecular weight of 560.55 g/mol. Its IUPAC name is 1-[4-[(4-nitrophenyl)diazenyl]anilino]-N-[4-[(4-nitrophenyl)diazenyl]phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-[4-[(4-nitrophenyl)diazenyl]anilino]-N-[4-[(4-nitrophenyl)diazenyl]phenyl]methanesulfonamide
PubChem CID58743491
Molecular FormulaC25H20N8O6S
Molecular Weight560.55 g/mol
Exact Mass560.12
IUPAC Name1-[4-[(4-nitrophenyl)diazenyl]anilino]-N-[4-[(4-nitrophenyl)diazenyl]phenyl]methanesulfonamide
SMILESO=[N+]([O-])c1ccc(/N=N/c2ccc(NCS(=O)(=O)Nc3ccc(/N=N/c4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1
InChIInChI=1S/C25H20N8O6S/c34-32(35)24-13-9-21(10-14-24)29-27-19-3-1-18(2-4-19)26-17-40(38,39)31-23-7-5-20(6-8-23)28-30-22-11-15-25(16-12-22)33(36)37/h1-16,26,31H,17H2/b29-27+,30-28+
InChIKeyXRVPBDJEOWYUOE-QAVVBOBSSA-N
XLogP7.15
TPSA193.92 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500560.55
LogP ≤ 57.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

N-iodo-4-[(4-nitrophenyl)diazenyl]aniline
CID 145350386
N-(4-nitrophenyl)ethanesulfonamide
CID 521811
[3-(hydroxymethyl)-4-[(4-nitrophenyl)diazenyl]anilino]methanesulfonic acid
CID 150250346
(4-nitrophenyl)-phenyldiazene
CID 17222
2-[4-[(4-nitrophenyl)diazenyl]anilino]propan-1-ol
CID 19819208
4-[(4-nitrophenyl)diazenyl]-N-(6-pyridin-1-ium-1-ylhexyl)aniline
CID 157242607
methyl-(4-nitrophenyl)diazene
CID 20760343
N-(4-methoxyphenyl)-4-[(4-nitrophenyl)diazenyl]aniline
CID 163545972
N-(3,3-dimethylbutyl)-4-nitroaniline
CID 60759785
4-[(2,6-dibromo-4-nitrophenyl)diazenyl]-N-ethylaniline
CID 122650846
N-(12-carbazol-9-yldodecyl)-4-[(4-nitrophenyl)diazenyl]aniline
CID 11250105
N-(2-chloroethylsulfamoyl)-4-nitroaniline
CID 15330055

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-nitrophenyl)diazenyl]anilino]-N-[4-[(4-nitrophenyl)diazenyl]phenyl]methanesulfonamide?
The IUPAC name of 1-[4-[(4-nitrophenyl)diazenyl]anilino]-N-[4-[(4-nitrophenyl)diazenyl]phenyl]methanesulfonamide (CID 58743491) is 1-[4-[(4-nitrophenyl)diazenyl]anilino]-N-[4-[(4-nitrophenyl)diazenyl]phenyl]methanesulfonamide.
What is the SMILES notation for 1-[4-[(4-nitrophenyl)diazenyl]anilino]-N-[4-[(4-nitrophenyl)diazenyl]phenyl]methanesulfonamide?
The canonical SMILES for 1-[4-[(4-nitrophenyl)diazenyl]anilino]-N-[4-[(4-nitrophenyl)diazenyl]phenyl]methanesulfonamide is O=[N+]([O-])c1ccc(/N=N/c2ccc(NCS(=O)(=O)Nc3ccc(/N=N/c4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1.
What is the InChIKey of 1-[4-[(4-nitrophenyl)diazenyl]anilino]-N-[4-[(4-nitrophenyl)diazenyl]phenyl]methanesulfonamide?
The InChIKey is XRVPBDJEOWYUOE-QAVVBOBSSA-N. The full InChI is InChI=1S/C25H20N8O6S/c34-32(35)24-13-9-21(10-14-24)29-27-19-3-1-18(2-4-19)26-17-40(38,39)31-23-7-5-20(6-8-23)28-30-22-11-15-25(16-12-22)33(36)37/h1-16,26,31H,17H2/b29-27+,30-28+.
What are the key properties of 1-[4-[(4-nitrophenyl)diazenyl]anilino]-N-[4-[(4-nitrophenyl)diazenyl]phenyl]methanesulfonamide?
1-[4-[(4-nitrophenyl)diazenyl]anilino]-N-[4-[(4-nitrophenyl)diazenyl]phenyl]methanesulfonamide has a molecular weight of 560.55 g/mol, XLogP of 7.15, 11 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-nitrophenyl)diazenyl]anilino]-N-[4-[(4-nitrophenyl)diazenyl]phenyl]methanesulfonamide is sourced from PubChem (CID 58743491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).