3-[(2-chlorophenyl)sulfamoyl]-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide

C24H25ClN4O3S — CID 2325539

IUPAC3-[(2-chlorophenyl)sulfamoyl]-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide
SMILESCCN(CC)c1ccc(C=NNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)cc1
InChIInChI=1S/C24H25ClN4O3S/c1-3-29(4-2)20-14-12-18(13-15-20)17-26-27-24(30)19-8-7-9-21(16-19)33(31,32)28-23-11-6-5-10-22(23)25/h5-17,28H,3-4H2,1-2H3,(H,27,30)
InChIKeyPQDZOGAYNSTYDO-UHFFFAOYSA-N
MW485.01 g/mol
LogP4.75
Rot. Bonds9

About 3-[(2-chlorophenyl)sulfamoyl]-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide

3-[(2-chlorophenyl)sulfamoyl]-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide (PubChem CID 2325539) has the molecular formula C24H25ClN4O3S and a molecular weight of 485.01 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)sulfamoyl]-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)sulfamoyl]-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide
PubChem CID2325539
Molecular FormulaC24H25ClN4O3S
Molecular Weight485.01 g/mol
Exact Mass484.13
IUPAC Name3-[(2-chlorophenyl)sulfamoyl]-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide
SMILESCCN(CC)c1ccc(C=NNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)cc1
InChIInChI=1S/C24H25ClN4O3S/c1-3-29(4-2)20-14-12-18(13-15-20)17-26-27-24(30)19-8-7-9-21(16-19)33(31,32)28-23-11-6-5-10-22(23)25/h5-17,28H,3-4H2,1-2H3,(H,27,30)
InChIKeyPQDZOGAYNSTYDO-UHFFFAOYSA-N
XLogP4.75
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.01
LogP ≤ 54.75
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-(1,3-benzodioxol-5-ylmethylideneamino)-3-[(2-chlorophenyl)sulfamoyl]benzamide
CID 2325258
3-[(2-chlorophenyl)sulfamoyl]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide
CID 6893292
3-[(2-chlorophenyl)sulfamoyl]-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 2327297
N-[[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-3-[(2-chlorophenyl)sulfamoyl]benzamide
CID 2354789
3-[(2-chlorophenyl)sulfamoyl]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
CID 18271805
3-[(2-chlorophenyl)sulfamoyl]-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]benzamide
CID 9060965
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-3-methoxybenzamide
CID 6027249
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-2-carboxamide
CID 6882997
4-[benzenesulfonyl(methyl)amino]-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 43878814
4-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 872196
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 94838491
3-[(2-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2687813

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)sulfamoyl]-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide?
The IUPAC name of 3-[(2-chlorophenyl)sulfamoyl]-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide (CID 2325539) is 3-[(2-chlorophenyl)sulfamoyl]-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide.
What is the SMILES notation for 3-[(2-chlorophenyl)sulfamoyl]-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide?
The canonical SMILES for 3-[(2-chlorophenyl)sulfamoyl]-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide is CCN(CC)c1ccc(C=NNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)cc1.
What is the InChIKey of 3-[(2-chlorophenyl)sulfamoyl]-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide?
The InChIKey is PQDZOGAYNSTYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O3S/c1-3-29(4-2)20-14-12-18(13-15-20)17-26-27-24(30)19-8-7-9-21(16-19)33(31,32)28-23-11-6-5-10-22(23)25/h5-17,28H,3-4H2,1-2H3,(H,27,30).
What are the key properties of 3-[(2-chlorophenyl)sulfamoyl]-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide?
3-[(2-chlorophenyl)sulfamoyl]-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide has a molecular weight of 485.01 g/mol, XLogP of 4.75, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)sulfamoyl]-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide is sourced from PubChem (CID 2325539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).