4-[(4-bromophenyl)sulfonylamino]-N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]benzamide

C24H17BrFN3O4S — CID 2399832

IUPAC4-[(4-bromophenyl)sulfonylamino]-N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc(-c2ccc(F)cc2)o1)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C24H17BrFN3O4S/c25-18-5-12-22(13-6-18)34(31,32)29-20-9-3-17(4-10-20)24(30)28-27-15-21-11-14-23(33-21)16-1-7-19(26)8-2-16/h1-15,29H,(H,28,30)
InChIKeyRIJMGMIXMQBTGP-UHFFFAOYSA-N
MW542.39 g/mol
LogP5.41
Rot. Bonds7

About 4-[(4-bromophenyl)sulfonylamino]-N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]benzamide

4-[(4-bromophenyl)sulfonylamino]-N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]benzamide (PubChem CID 2399832) has the molecular formula C24H17BrFN3O4S and a molecular weight of 542.39 g/mol. Its IUPAC name is 4-[(4-bromophenyl)sulfonylamino]-N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-[(4-bromophenyl)sulfonylamino]-N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]benzamide
PubChem CID2399832
Molecular FormulaC24H17BrFN3O4S
Molecular Weight542.39 g/mol
Exact Mass541.01
IUPAC Name4-[(4-bromophenyl)sulfonylamino]-N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]benzamide
SMILESO=C(NN=Cc1ccc(-c2ccc(F)cc2)o1)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C24H17BrFN3O4S/c25-18-5-12-22(13-6-18)34(31,32)29-20-9-3-17(4-10-20)24(30)28-27-15-21-11-14-23(33-21)16-1-7-19(26)8-2-16/h1-15,29H,(H,28,30)
InChIKeyRIJMGMIXMQBTGP-UHFFFAOYSA-N
XLogP5.41
TPSA100.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.39
LogP ≤ 55.41
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

4-[(4-bromophenyl)sulfonylamino]-N-[(E)-(2,6-difluorophenyl)methylideneamino]benzamide
CID 42991353
N-(4-fluorophenyl)-4-(5-formylfuran-2-yl)benzenesulfonamide
CID 91679893
N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 19578276
4-bromo-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide
CID 3603946
4-bromo-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide
CID 40822435
4-[5-[[(4-bromobenzoyl)hydrazinylidene]methyl]furan-2-yl]-2-chlorobenzoic acid
CID 4060449
4-[(4-bromophenyl)sulfonylamino]-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 6904569
2-chloro-5-[5-[(Z)-[(4-fluorobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 5445831
2-bromo-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]benzamide
CID 41300906
N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-nitrobenzamide
CID 5440764
sodium 5-[[(4-fluorobenzoyl)hydrazinylidene]methyl]furan-2-sulfonate
CID 171151557
N-[(Z)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 6155235

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)sulfonylamino]-N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]benzamide?
The IUPAC name of 4-[(4-bromophenyl)sulfonylamino]-N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]benzamide (CID 2399832) is 4-[(4-bromophenyl)sulfonylamino]-N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]benzamide.
What is the SMILES notation for 4-[(4-bromophenyl)sulfonylamino]-N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]benzamide?
The canonical SMILES for 4-[(4-bromophenyl)sulfonylamino]-N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]benzamide is O=C(NN=Cc1ccc(-c2ccc(F)cc2)o1)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-[(4-bromophenyl)sulfonylamino]-N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]benzamide?
The InChIKey is RIJMGMIXMQBTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrFN3O4S/c25-18-5-12-22(13-6-18)34(31,32)29-20-9-3-17(4-10-20)24(30)28-27-15-21-11-14-23(33-21)16-1-7-19(26)8-2-16/h1-15,29H,(H,28,30).
What are the key properties of 4-[(4-bromophenyl)sulfonylamino]-N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]benzamide?
4-[(4-bromophenyl)sulfonylamino]-N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]benzamide has a molecular weight of 542.39 g/mol, XLogP of 5.41, 7 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-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]benzamide is sourced from PubChem (CID 2399832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).