4-(benzenesulfonamido)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]benzamide

C22H22N4O3S — CID 6283870

IUPAC4-(benzenesulfonamido)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]benzamide
SMILESCN(C)c1ccc(/C=N\NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C22H22N4O3S/c1-26(2)20-14-8-17(9-15-20)16-23-24-22(27)18-10-12-19(13-11-18)25-30(28,29)21-6-4-3-5-7-21/h3-16,25H,1-2H3,(H,24,27)/b23-16-
InChIKeyAMYCFBFJBWZDIZ-KQWNVCNZSA-N
MW422.51 g/mol
LogP3.32
Rot. Bonds7

About 4-(benzenesulfonamido)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]benzamide

4-(benzenesulfonamido)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]benzamide (PubChem CID 6283870) has the molecular formula C22H22N4O3S and a molecular weight of 422.51 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]benzamide
PubChem CID6283870
Molecular FormulaC22H22N4O3S
Molecular Weight422.51 g/mol
Exact Mass422.14
IUPAC Name4-(benzenesulfonamido)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]benzamide
SMILESCN(C)c1ccc(/C=N\NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C22H22N4O3S/c1-26(2)20-14-8-17(9-15-20)16-23-24-22(27)18-10-12-19(13-11-18)25-30(28,29)21-6-4-3-5-7-21/h3-16,25H,1-2H3,(H,24,27)/b23-16-
InChIKeyAMYCFBFJBWZDIZ-KQWNVCNZSA-N
XLogP3.32
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 53.32
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

N-(benzylideneamino)-4-[(4-chlorophenyl)sulfonylamino]benzamide
CID 4132126
[4-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 6047938
N-[(4-acetamidophenyl)methylideneamino]-4-(dimethylamino)benzamide
CID 4105739
N-[[4-(dimethylamino)phenyl]methylideneamino]benzenesulfonamide
CID 872082
4-(benzenesulfonamido)-N-[(3-bromophenyl)methylideneamino]benzamide
CID 4620480
4-chloro-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide
CID 5340804
[4-[[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate
CID 4150709
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-4-[(E)-3-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-3-oxoprop-1-enyl]benzamide
CID 89119525
4-(benzenesulfonamido)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 6021387
4-(dimethylamino)-N-[[4-[4-[[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]phenoxy]phenyl]methylideneamino]benzamide
CID 75965267
4-(benzenesulfonamido)-N-[(Z)-(2-chlorophenyl)methylideneamino]benzamide
CID 6114827
4-(benzenesulfonamido)-N-[(Z)-(2-bromophenyl)methylideneamino]benzamide
CID 6076061

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]benzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]benzamide (CID 6283870) is 4-(benzenesulfonamido)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]benzamide is CN(C)c1ccc(/C=N\NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-(benzenesulfonamido)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]benzamide?
The InChIKey is AMYCFBFJBWZDIZ-KQWNVCNZSA-N. The full InChI is InChI=1S/C22H22N4O3S/c1-26(2)20-14-8-17(9-15-20)16-23-24-22(27)18-10-12-19(13-11-18)25-30(28,29)21-6-4-3-5-7-21/h3-16,25H,1-2H3,(H,24,27)/b23-16-.
What are the key properties of 4-(benzenesulfonamido)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]benzamide?
4-(benzenesulfonamido)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]benzamide has a molecular weight of 422.51 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]benzamide is sourced from PubChem (CID 6283870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).