2-methoxy-5-[(Z)-[(Z)-[4-methoxy-3-[(propan-2-ylideneamino)sulfamoyl]phenyl]methylidenehydrazinylidene]methyl]-N-(propan-2-ylideneamino)benzenesulfonamide

C22H28N6O6S2 — CID 125114123

IUPAC2-methoxy-5-[(Z)-[(Z)-[4-methoxy-3-[(propan-2-ylideneamino)sulfamoyl]phenyl]methylidenehydrazinylidene]methyl]-N-(propan-2-ylideneamino)benzenesulfonamide
SMILESCOc1ccc(/C=N\N=C/c2ccc(OC)c(S(=O)(=O)NN=C(C)C)c2)cc1S(=O)(=O)NN=C(C)C
InChIInChI=1S/C22H28N6O6S2/c1-15(2)25-27-35(29,30)21-11-17(7-9-19(21)33-5)13-23-24-14-18-8-10-20(34-6)22(12-18)36(31,32)28-26-16(3)4/h7-14,27-28H,1-6H3/b23-13-,24-14-
InChIKeyQXUVPJOTUVUYFC-GACBQCINSA-N
MW536.64 g/mol
LogP2.51
Rot. Bonds11

About 2-methoxy-5-[(Z)-[(Z)-[4-methoxy-3-[(propan-2-ylideneamino)sulfamoyl]phenyl]methylidenehydrazinylidene]methyl]-N-(propan-2-ylideneamino)benzenesulfonamide

2-methoxy-5-[(Z)-[(Z)-[4-methoxy-3-[(propan-2-ylideneamino)sulfamoyl]phenyl]methylidenehydrazinylidene]methyl]-N-(propan-2-ylideneamino)benzenesulfonamide (PubChem CID 125114123) has the molecular formula C22H28N6O6S2 and a molecular weight of 536.64 g/mol. Its IUPAC name is 2-methoxy-5-[(Z)-[(Z)-[4-methoxy-3-[(propan-2-ylideneamino)sulfamoyl]phenyl]methylidenehydrazinylidene]methyl]-N-(propan-2-ylideneamino)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-[(Z)-[(Z)-[4-methoxy-3-[(propan-2-ylideneamino)sulfamoyl]phenyl]methylidenehydrazinylidene]methyl]-N-(propan-2-ylideneamino)benzenesulfonamide
PubChem CID125114123
Molecular FormulaC22H28N6O6S2
Molecular Weight536.64 g/mol
Exact Mass536.15
IUPAC Name2-methoxy-5-[(Z)-[(Z)-[4-methoxy-3-[(propan-2-ylideneamino)sulfamoyl]phenyl]methylidenehydrazinylidene]methyl]-N-(propan-2-ylideneamino)benzenesulfonamide
SMILESCOc1ccc(/C=N\N=C/c2ccc(OC)c(S(=O)(=O)NN=C(C)C)c2)cc1S(=O)(=O)NN=C(C)C
InChIInChI=1S/C22H28N6O6S2/c1-15(2)25-27-35(29,30)21-11-17(7-9-19(21)33-5)13-23-24-14-18-8-10-20(34-6)22(12-18)36(31,32)28-26-16(3)4/h7-14,27-28H,1-6H3/b23-13-,24-14-
InChIKeyQXUVPJOTUVUYFC-GACBQCINSA-N
XLogP2.51
TPSA160.24 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.64
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 17381305
CID 131883887
CID 131883887
N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 135647669
5-[(E)-(diaminomethylidenehydrazinylidene)methyl]-2-methoxybenzenesulfonic acid;hydrochloride
CID 54601430
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 135647812
N-[(E)-(4-bromophenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 110516627
sodium 2-methoxy-5-[(E)-[[2-[(2E)-2-[(4-methoxy-3-sulfophenyl)methylidene]hydrazinyl]-2-oxoacetyl]hydrazinylidene]methyl]benzenesulfonic acid
CID 54605292
2-methoxy-N-[(E)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]-5-methylbenzenesulfonamide
CID 110518061
N-[(E)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-methoxy-5-methylbenzenesulfonamide
CID 110517954
2,5-dimethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]benzenesulfonamide
CID 27524457
(Z)-3-[3-(tert-butylsulfamoyl)-4-methoxyphenyl]prop-2-enoic acid
CID 2493130
5-chloro-2-methoxy-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]benzenesulfonamide
CID 110517051

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(Z)-[(Z)-[4-methoxy-3-[(propan-2-ylideneamino)sulfamoyl]phenyl]methylidenehydrazinylidene]methyl]-N-(propan-2-ylideneamino)benzenesulfonamide?
The IUPAC name of 2-methoxy-5-[(Z)-[(Z)-[4-methoxy-3-[(propan-2-ylideneamino)sulfamoyl]phenyl]methylidenehydrazinylidene]methyl]-N-(propan-2-ylideneamino)benzenesulfonamide (CID 125114123) is 2-methoxy-5-[(Z)-[(Z)-[4-methoxy-3-[(propan-2-ylideneamino)sulfamoyl]phenyl]methylidenehydrazinylidene]methyl]-N-(propan-2-ylideneamino)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-[(Z)-[(Z)-[4-methoxy-3-[(propan-2-ylideneamino)sulfamoyl]phenyl]methylidenehydrazinylidene]methyl]-N-(propan-2-ylideneamino)benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-[(Z)-[(Z)-[4-methoxy-3-[(propan-2-ylideneamino)sulfamoyl]phenyl]methylidenehydrazinylidene]methyl]-N-(propan-2-ylideneamino)benzenesulfonamide is COc1ccc(/C=N\N=C/c2ccc(OC)c(S(=O)(=O)NN=C(C)C)c2)cc1S(=O)(=O)NN=C(C)C.
What is the InChIKey of 2-methoxy-5-[(Z)-[(Z)-[4-methoxy-3-[(propan-2-ylideneamino)sulfamoyl]phenyl]methylidenehydrazinylidene]methyl]-N-(propan-2-ylideneamino)benzenesulfonamide?
The InChIKey is QXUVPJOTUVUYFC-GACBQCINSA-N. The full InChI is InChI=1S/C22H28N6O6S2/c1-15(2)25-27-35(29,30)21-11-17(7-9-19(21)33-5)13-23-24-14-18-8-10-20(34-6)22(12-18)36(31,32)28-26-16(3)4/h7-14,27-28H,1-6H3/b23-13-,24-14-.
What are the key properties of 2-methoxy-5-[(Z)-[(Z)-[4-methoxy-3-[(propan-2-ylideneamino)sulfamoyl]phenyl]methylidenehydrazinylidene]methyl]-N-(propan-2-ylideneamino)benzenesulfonamide?
2-methoxy-5-[(Z)-[(Z)-[4-methoxy-3-[(propan-2-ylideneamino)sulfamoyl]phenyl]methylidenehydrazinylidene]methyl]-N-(propan-2-ylideneamino)benzenesulfonamide has a molecular weight of 536.64 g/mol, XLogP of 2.51, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(Z)-[(Z)-[4-methoxy-3-[(propan-2-ylideneamino)sulfamoyl]phenyl]methylidenehydrazinylidene]methyl]-N-(propan-2-ylideneamino)benzenesulfonamide is sourced from PubChem (CID 125114123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).