4-[[4-[(4-sulfamoylphenyl)iminomethyl]phenyl]methylideneamino]benzenesulfonamide

C20H18N4O4S2 — CID 3426384

IUPAC4-[[4-[(4-sulfamoylphenyl)iminomethyl]phenyl]methylideneamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C/c2ccc(/C=N/c3ccc(S(N)(=O)=O)cc3)cc2)cc1
InChIInChI=1S/C20H18N4O4S2/c21-29(25,26)19-9-5-17(6-10-19)23-13-15-1-2-16(4-3-15)14-24-18-7-11-20(12-8-18)30(22,27)28/h1-14H,(H2,21,25,26)(H2,22,27,28)/b23-13+,24-14+
InChIKeyRYZPGOBSXANNKH-RNIAWFEPSA-N
MW442.52 g/mol
LogP2.48
Rot. Bonds6

About 4-[[4-[(4-sulfamoylphenyl)iminomethyl]phenyl]methylideneamino]benzenesulfonamide

4-[[4-[(4-sulfamoylphenyl)iminomethyl]phenyl]methylideneamino]benzenesulfonamide (PubChem CID 3426384) has the molecular formula C20H18N4O4S2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 4-[[4-[(4-sulfamoylphenyl)iminomethyl]phenyl]methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-[(4-sulfamoylphenyl)iminomethyl]phenyl]methylideneamino]benzenesulfonamide
PubChem CID3426384
Molecular FormulaC20H18N4O4S2
Molecular Weight442.52 g/mol
Exact Mass442.08
IUPAC Name4-[[4-[(4-sulfamoylphenyl)iminomethyl]phenyl]methylideneamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C/c2ccc(/C=N/c3ccc(S(N)(=O)=O)cc3)cc2)cc1
InChIInChI=1S/C20H18N4O4S2/c21-29(25,26)19-9-5-17(6-10-19)23-13-15-1-2-16(4-3-15)14-24-18-7-11-20(12-8-18)30(22,27)28/h1-14H,(H2,21,25,26)(H2,22,27,28)/b23-13+,24-14+
InChIKeyRYZPGOBSXANNKH-RNIAWFEPSA-N
XLogP2.48
TPSA145.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(Benzylideneamino)benzenesulfonamide
CID 308405
MP-A08
CID 420266
4-Phenyliminomethyl-benzenesulfonamide
CID 44456679
4-(Benzylideneamino)-3-fluorobenzenesulfonamide
CID 118716952
N-(4-Methylbenzylidene)-4-sulfamoylaniline
CID 690836
4-(4-Tert-butylbenzylideneamino)benzenesulfonamide
CID 45483195
3-Fluoro-4-[(4-phenylphenyl)methylideneamino]benzenesulfonamide
CID 118716954
3-[[3-[(3-Sulfamoylphenyl)iminomethyl]phenyl]methylideneamino]benzenesulfonamide
CID 137639377
3-[[2-[(3-Sulfamoylphenyl)iminomethyl]phenyl]methylideneamino]benzenesulfonamide
CID 137642331
4-[[2-[(4-Sulfamoylphenyl)iminomethyl]phenyl]methylideneamino]benzenesulfonamide
CID 137645654
4-[[3-[(4-Sulfamoylphenyl)iminomethyl]phenyl]methylideneamino]benzenesulfonamide
CID 137649376
3-[[4-[(3-Sulfamoylphenyl)iminomethyl]phenyl]methylideneamino]benzenesulfonamide
CID 137661307

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(4-sulfamoylphenyl)iminomethyl]phenyl]methylideneamino]benzenesulfonamide?
The IUPAC name of 4-[[4-[(4-sulfamoylphenyl)iminomethyl]phenyl]methylideneamino]benzenesulfonamide (CID 3426384) is 4-[[4-[(4-sulfamoylphenyl)iminomethyl]phenyl]methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-[[4-[(4-sulfamoylphenyl)iminomethyl]phenyl]methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-[[4-[(4-sulfamoylphenyl)iminomethyl]phenyl]methylideneamino]benzenesulfonamide is NS(=O)(=O)c1ccc(/N=C/c2ccc(/C=N/c3ccc(S(N)(=O)=O)cc3)cc2)cc1.
What is the InChIKey of 4-[[4-[(4-sulfamoylphenyl)iminomethyl]phenyl]methylideneamino]benzenesulfonamide?
The InChIKey is RYZPGOBSXANNKH-RNIAWFEPSA-N. The full InChI is InChI=1S/C20H18N4O4S2/c21-29(25,26)19-9-5-17(6-10-19)23-13-15-1-2-16(4-3-15)14-24-18-7-11-20(12-8-18)30(22,27)28/h1-14H,(H2,21,25,26)(H2,22,27,28)/b23-13+,24-14+.
What are the key properties of 4-[[4-[(4-sulfamoylphenyl)iminomethyl]phenyl]methylideneamino]benzenesulfonamide?
4-[[4-[(4-sulfamoylphenyl)iminomethyl]phenyl]methylideneamino]benzenesulfonamide has a molecular weight of 442.52 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(4-sulfamoylphenyl)iminomethyl]phenyl]methylideneamino]benzenesulfonamide is sourced from PubChem (CID 3426384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).