4-(benzenesulfonamido)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide

C26H21N3O4S — CID 6021387

IUPAC4-(benzenesulfonamido)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1cccc(Oc2ccccc2)c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C26H21N3O4S/c30-26(21-14-16-22(17-15-21)29-34(31,32)25-12-5-2-6-13-25)28-27-19-20-8-7-11-24(18-20)33-23-9-3-1-4-10-23/h1-19,29H,(H,28,30)/b27-19-
InChIKeyYMDVXIFAOIUVFC-DIBXZPPDSA-N
MW471.54 g/mol
LogP5.04
Rot. Bonds8

About 4-(benzenesulfonamido)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide

4-(benzenesulfonamido)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide (PubChem CID 6021387) has the molecular formula C26H21N3O4S and a molecular weight of 471.54 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide
PubChem CID6021387
Molecular FormulaC26H21N3O4S
Molecular Weight471.54 g/mol
Exact Mass471.13
IUPAC Name4-(benzenesulfonamido)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1cccc(Oc2ccccc2)c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C26H21N3O4S/c30-26(21-14-16-22(17-15-21)29-34(31,32)25-12-5-2-6-13-25)28-27-19-20-8-7-11-24(18-20)33-23-9-3-1-4-10-23/h1-19,29H,(H,28,30)/b27-19-
InChIKeyYMDVXIFAOIUVFC-DIBXZPPDSA-N
XLogP5.04
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.54
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-(benzenesulfonamido)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6289615
4-(benzenesulfonamido)-N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6040213
N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 6870929
4-(benzenesulfonamido)-N-[(3-bromophenyl)methylideneamino]benzamide
CID 4620480
4-[(4-methylphenyl)sulfonylamino]-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6024079
N-(benzylideneamino)-4-[(4-chlorophenyl)sulfonylamino]benzamide
CID 4132126
N-[(3-hydroxyphenyl)methylideneamino]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 4141300
[4-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 6047938
N-[(E)-(3-chlorophenyl)methylideneamino]-4-[(4-chlorophenyl)sulfonylamino]benzamide
CID 51060542
3-hydroxy-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 6911430
N-[(E)-benzylideneamino]-4-[4-[[(E)-benzylideneamino]carbamoyl]phenoxy]benzamide
CID 44621271
[3-[(E)-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 51061566

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide (CID 6021387) is 4-(benzenesulfonamido)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide is O=C(N/N=C\c1cccc(Oc2ccccc2)c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(benzenesulfonamido)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide?
The InChIKey is YMDVXIFAOIUVFC-DIBXZPPDSA-N. The full InChI is InChI=1S/C26H21N3O4S/c30-26(21-14-16-22(17-15-21)29-34(31,32)25-12-5-2-6-13-25)28-27-19-20-8-7-11-24(18-20)33-23-9-3-1-4-10-23/h1-19,29H,(H,28,30)/b27-19-.
What are the key properties of 4-(benzenesulfonamido)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide?
4-(benzenesulfonamido)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide has a molecular weight of 471.54 g/mol, XLogP of 5.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 6021387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).