4-[(4-bromophenyl)sulfonylamino]-N-[(3-oxocyclohexylidene)amino]benzamide

C19H18BrN3O4S — CID 4261249

IUPAC4-[(4-bromophenyl)sulfonylamino]-N-[(3-oxocyclohexylidene)amino]benzamide
SMILESO=C1CCCC(=NNC(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)C1
InChIInChI=1S/C19H18BrN3O4S/c20-14-6-10-18(11-7-14)28(26,27)23-15-8-4-13(5-9-15)19(25)22-21-16-2-1-3-17(24)12-16/h4-11,23H,1-3,12H2,(H,22,25)
InChIKeyAFNUIAWIKQJFOX-UHFFFAOYSA-N
MW464.34 g/mol
LogP3.48
Rot. Bonds5

About 4-[(4-bromophenyl)sulfonylamino]-N-[(3-oxocyclohexylidene)amino]benzamide

4-[(4-bromophenyl)sulfonylamino]-N-[(3-oxocyclohexylidene)amino]benzamide (PubChem CID 4261249) has the molecular formula C19H18BrN3O4S and a molecular weight of 464.34 g/mol. Its IUPAC name is 4-[(4-bromophenyl)sulfonylamino]-N-[(3-oxocyclohexylidene)amino]benzamide.

Molecular Properties

Compound Name4-[(4-bromophenyl)sulfonylamino]-N-[(3-oxocyclohexylidene)amino]benzamide
PubChem CID4261249
Molecular FormulaC19H18BrN3O4S
Molecular Weight464.34 g/mol
Exact Mass463.02
IUPAC Name4-[(4-bromophenyl)sulfonylamino]-N-[(3-oxocyclohexylidene)amino]benzamide
SMILESO=C1CCCC(=NNC(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)C1
InChIInChI=1S/C19H18BrN3O4S/c20-14-6-10-18(11-7-14)28(26,27)23-15-8-4-13(5-9-15)19(25)22-21-16-2-1-3-17(24)12-16/h4-11,23H,1-3,12H2,(H,22,25)
InChIKeyAFNUIAWIKQJFOX-UHFFFAOYSA-N
XLogP3.48
TPSA104.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.34
LogP ≤ 53.48
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

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CID 56623987
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4-[(4-bromophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide
CID 3868276
2-bromo-N-[(3-oxocyclohexylidene)amino]benzamide
CID 3943626
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-methylbenzamide
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N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-[(4-chlorophenyl)sulfonylamino]benzamide
CID 136782247
4-[(4-bromophenyl)sulfonylamino]-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 6904569
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 99940050
4-bromo-N-(4-hydroxyphenyl)benzenesulfonamide
CID 875203
4-(benzenesulfonamido)-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 136867354
N-(cyclohexylideneamino)-4-(2-cyclohexylidenehydrazinyl)benzamide
CID 5074578
4-[(4-bromophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 2090399

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)sulfonylamino]-N-[(3-oxocyclohexylidene)amino]benzamide?
The IUPAC name of 4-[(4-bromophenyl)sulfonylamino]-N-[(3-oxocyclohexylidene)amino]benzamide (CID 4261249) is 4-[(4-bromophenyl)sulfonylamino]-N-[(3-oxocyclohexylidene)amino]benzamide.
What is the SMILES notation for 4-[(4-bromophenyl)sulfonylamino]-N-[(3-oxocyclohexylidene)amino]benzamide?
The canonical SMILES for 4-[(4-bromophenyl)sulfonylamino]-N-[(3-oxocyclohexylidene)amino]benzamide is O=C1CCCC(=NNC(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)C1.
What is the InChIKey of 4-[(4-bromophenyl)sulfonylamino]-N-[(3-oxocyclohexylidene)amino]benzamide?
The InChIKey is AFNUIAWIKQJFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O4S/c20-14-6-10-18(11-7-14)28(26,27)23-15-8-4-13(5-9-15)19(25)22-21-16-2-1-3-17(24)12-16/h4-11,23H,1-3,12H2,(H,22,25).
What are the key properties of 4-[(4-bromophenyl)sulfonylamino]-N-[(3-oxocyclohexylidene)amino]benzamide?
4-[(4-bromophenyl)sulfonylamino]-N-[(3-oxocyclohexylidene)amino]benzamide has a molecular weight of 464.34 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)sulfonylamino]-N-[(3-oxocyclohexylidene)amino]benzamide is sourced from PubChem (CID 4261249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).