4-[4-[2-[4-(4-aminophenyl)sulfonylphenyl]hydrazinyl]phenyl]sulfonylaniline

C24H22N4O4S2 — CID 125345696

IUPAC4-[4-[2-[4-(4-aminophenyl)sulfonylphenyl]hydrazinyl]phenyl]sulfonylaniline
SMILESNc1ccc(S(=O)(=O)c2ccc(NNc3ccc(S(=O)(=O)c4ccc(N)cc4)cc3)cc2)cc1
InChIInChI=1S/C24H22N4O4S2/c25-17-1-9-21(10-2-17)33(29,30)23-13-5-19(6-14-23)27-28-20-7-15-24(16-8-20)34(31,32)22-11-3-18(26)4-12-22/h1-16,27-28H,25-26H2
InChIKeyQWQRSTQAPKEYDM-UHFFFAOYSA-N
MW494.60 g/mol
LogP3.96
Rot. Bonds7

About 4-[4-[2-[4-(4-aminophenyl)sulfonylphenyl]hydrazinyl]phenyl]sulfonylaniline

4-[4-[2-[4-(4-aminophenyl)sulfonylphenyl]hydrazinyl]phenyl]sulfonylaniline (PubChem CID 125345696) has the molecular formula C24H22N4O4S2 and a molecular weight of 494.60 g/mol. Its IUPAC name is 4-[4-[2-[4-(4-aminophenyl)sulfonylphenyl]hydrazinyl]phenyl]sulfonylaniline.

Molecular Properties

Compound Name4-[4-[2-[4-(4-aminophenyl)sulfonylphenyl]hydrazinyl]phenyl]sulfonylaniline
PubChem CID125345696
Molecular FormulaC24H22N4O4S2
Molecular Weight494.60 g/mol
Exact Mass494.11
IUPAC Name4-[4-[2-[4-(4-aminophenyl)sulfonylphenyl]hydrazinyl]phenyl]sulfonylaniline
SMILESNc1ccc(S(=O)(=O)c2ccc(NNc3ccc(S(=O)(=O)c4ccc(N)cc4)cc3)cc2)cc1
InChIInChI=1S/C24H22N4O4S2/c25-17-1-9-21(10-2-17)33(29,30)23-13-5-19(6-14-23)27-28-20-7-15-24(16-8-20)34(31,32)22-11-3-18(26)4-12-22/h1-16,27-28H,25-26H2
InChIKeyQWQRSTQAPKEYDM-UHFFFAOYSA-N
XLogP3.96
TPSA144.38 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 53.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(4-aminophenyl)sulfonylaniline;dihydroiodide
CID 24833766
4-[4-(methylamino)phenyl]sulfonylaniline
CID 504062
4-amino-N-[4-(4-aminophenyl)sulfonylphenyl]benzenesulfonamide
CID 13052807
1-[4-(4-aminophenyl)sulfonylanilino]ethanol
CID 23067525
4-[4-(butylamino)phenyl]sulfonylaniline
CID 73012667
sodium;4-(4-aminophenyl)sulfonylaniline;cyanate
CID 67466349
4-(4-aminophenyl)sulfonylaniline;ethanesulfonic acid
CID 506593
3-[2-(4-aminophenyl)hydrazinyl]benzenesulfonic acid
CID 88586516
4-(4-aminophenyl)sulfonylaniline;4-(4-chlorosulfonylphenyl)benzenesulfonyl chloride
CID 88770219
4-[4-(dimethylamino)phenyl]sulfonylaniline
CID 516668
2-N-[4-(4-aminophenyl)sulfonylphenyl]-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride
CID 24838174
N-[4-[4-[4-(hydroxyamino)phenyl]sulfonylphenyl]sulfonylphenyl]hydroxylamine
CID 45275969

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[4-(4-aminophenyl)sulfonylphenyl]hydrazinyl]phenyl]sulfonylaniline?
The IUPAC name of 4-[4-[2-[4-(4-aminophenyl)sulfonylphenyl]hydrazinyl]phenyl]sulfonylaniline (CID 125345696) is 4-[4-[2-[4-(4-aminophenyl)sulfonylphenyl]hydrazinyl]phenyl]sulfonylaniline.
What is the SMILES notation for 4-[4-[2-[4-(4-aminophenyl)sulfonylphenyl]hydrazinyl]phenyl]sulfonylaniline?
The canonical SMILES for 4-[4-[2-[4-(4-aminophenyl)sulfonylphenyl]hydrazinyl]phenyl]sulfonylaniline is Nc1ccc(S(=O)(=O)c2ccc(NNc3ccc(S(=O)(=O)c4ccc(N)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[4-[2-[4-(4-aminophenyl)sulfonylphenyl]hydrazinyl]phenyl]sulfonylaniline?
The InChIKey is QWQRSTQAPKEYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4S2/c25-17-1-9-21(10-2-17)33(29,30)23-13-5-19(6-14-23)27-28-20-7-15-24(16-8-20)34(31,32)22-11-3-18(26)4-12-22/h1-16,27-28H,25-26H2.
What are the key properties of 4-[4-[2-[4-(4-aminophenyl)sulfonylphenyl]hydrazinyl]phenyl]sulfonylaniline?
4-[4-[2-[4-(4-aminophenyl)sulfonylphenyl]hydrazinyl]phenyl]sulfonylaniline has a molecular weight of 494.60 g/mol, XLogP of 3.96, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[4-(4-aminophenyl)sulfonylphenyl]hydrazinyl]phenyl]sulfonylaniline is sourced from PubChem (CID 125345696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).