4-amino-N-[2-[2-[[2-[(4-aminophenyl)sulfonylamino]phenyl]methylideneamino]ethyliminomethyl]phenyl]benzenesulfonamide

C28H28N6O4S2 — CID 101033192

IUPAC4-amino-N-[2-[2-[[2-[(4-aminophenyl)sulfonylamino]phenyl]methylideneamino]ethyliminomethyl]phenyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccccc2/C=N\CC/N=C/c2ccccc2NS(=O)(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C28H28N6O4S2/c29-23-9-13-25(14-10-23)39(35,36)33-27-7-3-1-5-21(27)19-31-17-18-32-20-22-6-2-4-8-28(22)34-40(37,38)26-15-11-24(30)12-16-26/h1-16,19-20,33-34H,17-18,29-30H2/b31-19-,32-20+
InChIKeyCAWODKAAPZOHCE-QXLZFTBOSA-N
MW576.70 g/mol
LogP3.99
Rot. Bonds11

About 4-amino-N-[2-[2-[[2-[(4-aminophenyl)sulfonylamino]phenyl]methylideneamino]ethyliminomethyl]phenyl]benzenesulfonamide

4-amino-N-[2-[2-[[2-[(4-aminophenyl)sulfonylamino]phenyl]methylideneamino]ethyliminomethyl]phenyl]benzenesulfonamide (PubChem CID 101033192) has the molecular formula C28H28N6O4S2 and a molecular weight of 576.70 g/mol. Its IUPAC name is 4-amino-N-[2-[2-[[2-[(4-aminophenyl)sulfonylamino]phenyl]methylideneamino]ethyliminomethyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[2-[2-[[2-[(4-aminophenyl)sulfonylamino]phenyl]methylideneamino]ethyliminomethyl]phenyl]benzenesulfonamide
PubChem CID101033192
Molecular FormulaC28H28N6O4S2
Molecular Weight576.70 g/mol
Exact Mass576.16
IUPAC Name4-amino-N-[2-[2-[[2-[(4-aminophenyl)sulfonylamino]phenyl]methylideneamino]ethyliminomethyl]phenyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccccc2/C=N\CC/N=C/c2ccccc2NS(=O)(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C28H28N6O4S2/c29-23-9-13-25(14-10-23)39(35,36)33-27-7-3-1-5-21(27)19-31-17-18-32-20-22-6-2-4-8-28(22)34-40(37,38)26-15-11-24(30)12-16-26/h1-16,19-20,33-34H,17-18,29-30H2/b31-19-,32-20+
InChIKeyCAWODKAAPZOHCE-QXLZFTBOSA-N
XLogP3.99
TPSA169.10 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.70
LogP ≤ 53.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[2-[4-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methylideneamino]butyliminomethyl]phenyl]benzenesulfonamide
CID 101241244
4-methyl-N-[2-[[4-[[[2-[(4-methylphenyl)sulfonylamino]phenyl]methylideneamino]methyl]phenyl]methyliminomethyl]phenyl]benzenesulfonamide
CID 102386798
N-[2-[[3-hydroxy-3-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methylideneamino]propyl]iminomethyl]phenyl]-4-methylbenzenesulfonamide
CID 167530631
4-methyl-N-[2-[2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methylideneamino]propyliminomethyl]phenyl]benzenesulfonamide
CID 19589557
silver 4-amino-N-pyrimidin-2-ylbenzenesulfonamide
CID 6711387
bis(4-amino-N-pyrimidin-2-ylbenzenesulfonamide) dichloride
CID 18407969
N-(2-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 22185560
[4-[[2-[(E)-hydroxyiminomethyl]phenyl]sulfamoyl]phenyl] 2,2-dimethylpropanoate
CID 118010067
4-amino-N-(cyclooctatetraenyl)benzenesulfonamide
CID 143002799
3-[2-(benzenesulfonamido)phenyl]prop-2-enoic acid
CID 70280220
3-[4-[(2-formylphenyl)sulfamoyl]phenyl]-2,2-dimethylpropanoic acid
CID 174843363
4-amino-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]benzenesulfonamide
CID 68952611

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[2-[[2-[(4-aminophenyl)sulfonylamino]phenyl]methylideneamino]ethyliminomethyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[2-[2-[[2-[(4-aminophenyl)sulfonylamino]phenyl]methylideneamino]ethyliminomethyl]phenyl]benzenesulfonamide (CID 101033192) is 4-amino-N-[2-[2-[[2-[(4-aminophenyl)sulfonylamino]phenyl]methylideneamino]ethyliminomethyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[2-[2-[[2-[(4-aminophenyl)sulfonylamino]phenyl]methylideneamino]ethyliminomethyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[2-[2-[[2-[(4-aminophenyl)sulfonylamino]phenyl]methylideneamino]ethyliminomethyl]phenyl]benzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2ccccc2/C=N\CC/N=C/c2ccccc2NS(=O)(=O)c2ccc(N)cc2)cc1.
What is the InChIKey of 4-amino-N-[2-[2-[[2-[(4-aminophenyl)sulfonylamino]phenyl]methylideneamino]ethyliminomethyl]phenyl]benzenesulfonamide?
The InChIKey is CAWODKAAPZOHCE-QXLZFTBOSA-N. The full InChI is InChI=1S/C28H28N6O4S2/c29-23-9-13-25(14-10-23)39(35,36)33-27-7-3-1-5-21(27)19-31-17-18-32-20-22-6-2-4-8-28(22)34-40(37,38)26-15-11-24(30)12-16-26/h1-16,19-20,33-34H,17-18,29-30H2/b31-19-,32-20+.
What are the key properties of 4-amino-N-[2-[2-[[2-[(4-aminophenyl)sulfonylamino]phenyl]methylideneamino]ethyliminomethyl]phenyl]benzenesulfonamide?
4-amino-N-[2-[2-[[2-[(4-aminophenyl)sulfonylamino]phenyl]methylideneamino]ethyliminomethyl]phenyl]benzenesulfonamide has a molecular weight of 576.70 g/mol, XLogP of 3.99, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[2-[[2-[(4-aminophenyl)sulfonylamino]phenyl]methylideneamino]ethyliminomethyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 101033192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).