4-chloro-N-[3-[(E)-[(4-sulfamoylphenyl)hydrazinylidene]methyl]phenyl]benzamide

C20H17ClN4O3S — CID 18267434

IUPAC4-chloro-N-[3-[(E)-[(4-sulfamoylphenyl)hydrazinylidene]methyl]phenyl]benzamide
SMILESNS(=O)(=O)c1ccc(N/N=C/c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C20H17ClN4O3S/c21-16-6-4-15(5-7-16)20(26)24-18-3-1-2-14(12-18)13-23-25-17-8-10-19(11-9-17)29(22,27)28/h1-13,25H,(H,24,26)(H2,22,27,28)/b23-13+
InChIKeyRTRAKLWSXXZJKC-YDZHTSKRSA-N
MW428.90 g/mol
LogP3.69
Rot. Bonds6

About 4-chloro-N-[3-[(E)-[(4-sulfamoylphenyl)hydrazinylidene]methyl]phenyl]benzamide

4-chloro-N-[3-[(E)-[(4-sulfamoylphenyl)hydrazinylidene]methyl]phenyl]benzamide (PubChem CID 18267434) has the molecular formula C20H17ClN4O3S and a molecular weight of 428.90 g/mol. Its IUPAC name is 4-chloro-N-[3-[(E)-[(4-sulfamoylphenyl)hydrazinylidene]methyl]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[(E)-[(4-sulfamoylphenyl)hydrazinylidene]methyl]phenyl]benzamide
PubChem CID18267434
Molecular FormulaC20H17ClN4O3S
Molecular Weight428.90 g/mol
Exact Mass428.07
IUPAC Name4-chloro-N-[3-[(E)-[(4-sulfamoylphenyl)hydrazinylidene]methyl]phenyl]benzamide
SMILESNS(=O)(=O)c1ccc(N/N=C/c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C20H17ClN4O3S/c21-16-6-4-15(5-7-16)20(26)24-18-3-1-2-14(12-18)13-23-25-17-8-10-19(11-9-17)29(22,27)28/h1-13,25H,(H,24,26)(H2,22,27,28)/b23-13+
InChIKeyRTRAKLWSXXZJKC-YDZHTSKRSA-N
XLogP3.69
TPSA113.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.90
LogP ≤ 53.69
H-Bond Donors ≤ 53
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-chloro-N-[3-[(E)-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenyl]benzamide
CID 135794880
N-[(E)-[3-[(4-chlorobenzoyl)amino]phenyl]methylideneamino]-4-ethoxybenzamide
CID 6906990
N-[(E)-(3-chlorophenyl)methylideneamino]-4-[(4-chlorophenyl)sulfonylamino]benzamide
CID 51060542
N-naphthalen-2-yl-4-sulfamoylbenzamide
CID 24638963
4-hydrazinyl-N-(3-sulfamoylphenyl)benzamide
CID 62237100
4-chloro-N-[3-[(3-chloro-4-methylphenyl)iminomethyl]phenyl]benzamide
CID 2419562
N-[3-[(E)-(benzenesulfonylhydrazinylidene)methyl]phenyl]-4-methylbenzamide
CID 6910126
4-[(4-chlorobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 6435601
4-chloro-N-[3-[(E)-(3-piperidin-1-ylpropanoylhydrazinylidene)methyl]phenyl]benzamide
CID 18272424
4-chloro-N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]benzamide
CID 67712313
4-acetamido-N-(3-sulfamoylphenyl)benzamide
CID 4067351
4-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]benzenesulfonamide
CID 50883758

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[(E)-[(4-sulfamoylphenyl)hydrazinylidene]methyl]phenyl]benzamide?
The IUPAC name of 4-chloro-N-[3-[(E)-[(4-sulfamoylphenyl)hydrazinylidene]methyl]phenyl]benzamide (CID 18267434) is 4-chloro-N-[3-[(E)-[(4-sulfamoylphenyl)hydrazinylidene]methyl]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-[(E)-[(4-sulfamoylphenyl)hydrazinylidene]methyl]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-[(E)-[(4-sulfamoylphenyl)hydrazinylidene]methyl]phenyl]benzamide is NS(=O)(=O)c1ccc(N/N=C/c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of 4-chloro-N-[3-[(E)-[(4-sulfamoylphenyl)hydrazinylidene]methyl]phenyl]benzamide?
The InChIKey is RTRAKLWSXXZJKC-YDZHTSKRSA-N. The full InChI is InChI=1S/C20H17ClN4O3S/c21-16-6-4-15(5-7-16)20(26)24-18-3-1-2-14(12-18)13-23-25-17-8-10-19(11-9-17)29(22,27)28/h1-13,25H,(H,24,26)(H2,22,27,28)/b23-13+.
What are the key properties of 4-chloro-N-[3-[(E)-[(4-sulfamoylphenyl)hydrazinylidene]methyl]phenyl]benzamide?
4-chloro-N-[3-[(E)-[(4-sulfamoylphenyl)hydrazinylidene]methyl]phenyl]benzamide has a molecular weight of 428.90 g/mol, XLogP of 3.69, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[(E)-[(4-sulfamoylphenyl)hydrazinylidene]methyl]phenyl]benzamide is sourced from PubChem (CID 18267434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).