N-[(Z)-anthracen-9-ylmethylideneamino]-4-[benzenesulfonyl(methyl)amino]benzamide

C29H23N3O3S — CID 28588387

IUPACN-[(Z)-anthracen-9-ylmethylideneamino]-4-[benzenesulfonyl(methyl)amino]benzamide
SMILESCN(c1ccc(C(=O)N/N=C\c2c3ccccc3cc3ccccc23)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C29H23N3O3S/c1-32(36(34,35)25-11-3-2-4-12-25)24-17-15-21(16-18-24)29(33)31-30-20-28-26-13-7-5-9-22(26)19-23-10-6-8-14-27(23)28/h2-20H,1H3,(H,31,33)/b30-20-
InChIKeyDLYFYYNBLJIGRM-COEJQBHMSA-N
MW493.59 g/mol
LogP5.58
Rot. Bonds6

About N-[(Z)-anthracen-9-ylmethylideneamino]-4-[benzenesulfonyl(methyl)amino]benzamide

N-[(Z)-anthracen-9-ylmethylideneamino]-4-[benzenesulfonyl(methyl)amino]benzamide (PubChem CID 28588387) has the molecular formula C29H23N3O3S and a molecular weight of 493.59 g/mol. Its IUPAC name is N-[(Z)-anthracen-9-ylmethylideneamino]-4-[benzenesulfonyl(methyl)amino]benzamide.

Molecular Properties

Compound NameN-[(Z)-anthracen-9-ylmethylideneamino]-4-[benzenesulfonyl(methyl)amino]benzamide
PubChem CID28588387
Molecular FormulaC29H23N3O3S
Molecular Weight493.59 g/mol
Exact Mass493.15
IUPAC NameN-[(Z)-anthracen-9-ylmethylideneamino]-4-[benzenesulfonyl(methyl)amino]benzamide
SMILESCN(c1ccc(C(=O)N/N=C\c2c3ccccc3cc3ccccc23)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C29H23N3O3S/c1-32(36(34,35)25-11-3-2-4-12-25)24-17-15-21(16-18-24)29(33)31-30-20-28-26-13-7-5-9-22(26)19-23-10-6-8-14-27(23)28/h2-20H,1H3,(H,31,33)/b30-20-
InChIKeyDLYFYYNBLJIGRM-COEJQBHMSA-N
XLogP5.58
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.59
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4-[benzenesulfonyl(methyl)amino]-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 43878814
4-[benzenesulfonyl(methyl)amino]-N-[(2,4-dichlorophenyl)methylideneamino]benzamide
CID 2467224
4-[benzenesulfonyl(methyl)amino]-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]benzamide
CID 6174804
N-(anthracen-9-ylmethylideneamino)-4-hydroxybenzamide
CID 702160
4-(dimethylamino)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135465938
4-(dimethylamino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 136737019
4-[benzenesulfonyl(methyl)amino]-N-[(Z)-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzamide
CID 94831417
N-(anthracen-9-ylmethylideneamino)-3,4-dichlorobenzamide
CID 4524228
N-[(Z)-anthracen-9-ylmethylideneamino]-3,4-dichlorobenzamide
CID 6139999
N-[(Z)-anthracen-9-ylmethylideneamino]-3-hydroxybenzamide
CID 6016653
4-[benzenesulfonyl(methyl)amino]benzoic acid
CID 804306
N'-[(Z)-anthracen-9-ylmethylideneamino]-N-methyloxamide
CID 7718958

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-anthracen-9-ylmethylideneamino]-4-[benzenesulfonyl(methyl)amino]benzamide?
The IUPAC name of N-[(Z)-anthracen-9-ylmethylideneamino]-4-[benzenesulfonyl(methyl)amino]benzamide (CID 28588387) is N-[(Z)-anthracen-9-ylmethylideneamino]-4-[benzenesulfonyl(methyl)amino]benzamide.
What is the SMILES notation for N-[(Z)-anthracen-9-ylmethylideneamino]-4-[benzenesulfonyl(methyl)amino]benzamide?
The canonical SMILES for N-[(Z)-anthracen-9-ylmethylideneamino]-4-[benzenesulfonyl(methyl)amino]benzamide is CN(c1ccc(C(=O)N/N=C\c2c3ccccc3cc3ccccc23)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(Z)-anthracen-9-ylmethylideneamino]-4-[benzenesulfonyl(methyl)amino]benzamide?
The InChIKey is DLYFYYNBLJIGRM-COEJQBHMSA-N. The full InChI is InChI=1S/C29H23N3O3S/c1-32(36(34,35)25-11-3-2-4-12-25)24-17-15-21(16-18-24)29(33)31-30-20-28-26-13-7-5-9-22(26)19-23-10-6-8-14-27(23)28/h2-20H,1H3,(H,31,33)/b30-20-.
What are the key properties of N-[(Z)-anthracen-9-ylmethylideneamino]-4-[benzenesulfonyl(methyl)amino]benzamide?
N-[(Z)-anthracen-9-ylmethylideneamino]-4-[benzenesulfonyl(methyl)amino]benzamide has a molecular weight of 493.59 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-anthracen-9-ylmethylideneamino]-4-[benzenesulfonyl(methyl)amino]benzamide is sourced from PubChem (CID 28588387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).