N-[4-[N-[(4-bromophenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide

C19H16BrN3O4S — CID 3410410

IUPACN-[4-[N-[(4-bromophenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
SMILESCC(=NNS(=O)(=O)c1ccc(Br)cc1)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C19H16BrN3O4S/c1-13(22-23-28(25,26)17-10-6-15(20)7-11-17)14-4-8-16(9-5-14)21-19(24)18-3-2-12-27-18/h2-12,23H,1H3,(H,21,24)
InChIKeyBCEMYPSZKNLRAD-UHFFFAOYSA-N
MW462.33 g/mol
LogP4.00
Rot. Bonds6

About N-[4-[N-[(4-bromophenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide

N-[4-[N-[(4-bromophenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide (PubChem CID 3410410) has the molecular formula C19H16BrN3O4S and a molecular weight of 462.33 g/mol. Its IUPAC name is N-[4-[N-[(4-bromophenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[N-[(4-bromophenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
PubChem CID3410410
Molecular FormulaC19H16BrN3O4S
Molecular Weight462.33 g/mol
Exact Mass461.00
IUPAC NameN-[4-[N-[(4-bromophenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
SMILESCC(=NNS(=O)(=O)c1ccc(Br)cc1)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C19H16BrN3O4S/c1-13(22-23-28(25,26)17-10-6-15(20)7-11-17)14-4-8-16(9-5-14)21-19(24)18-3-2-12-27-18/h2-12,23H,1H3,(H,21,24)
InChIKeyBCEMYPSZKNLRAD-UHFFFAOYSA-N
XLogP4.00
TPSA100.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.33
LogP ≤ 54.00
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-[(E)-1-(4-bromophenyl)ethylideneamino]furan-2-carboxamide
CID 5340021
N-[1-(4-bromophenyl)ethylideneamino]benzenesulfonamide
CID 5000888
4-bromo-N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]benzenesulfonamide
CID 9120982
N-[3-[N-[(4-bromophenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]-4-chlorobenzamide
CID 3431894
N-[4-[C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]acetamide
CID 881463
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[(Z)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
CID 6007896
N-[4-[[4-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]phenyl]furan-2-carboxamide
CID 42014548
N-[4-[[4-[(4-chlorophenyl)sulfamoyl]benzoyl]amino]phenyl]furan-2-carboxamide
CID 42014553
4-chloro-N-[4-[(Z)-C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]benzamide
CID 6287230
N-[4-[(E)-N-[[2-(4-methoxyphenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
CID 6187407
N-[4-[(Z)-N-[[2-(4-methoxyphenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
CID 6387299

Frequently Asked Questions

What is the IUPAC name of N-[4-[N-[(4-bromophenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[N-[(4-bromophenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide (CID 3410410) is N-[4-[N-[(4-bromophenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[N-[(4-bromophenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[N-[(4-bromophenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide is CC(=NNS(=O)(=O)c1ccc(Br)cc1)c1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[N-[(4-bromophenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide?
The InChIKey is BCEMYPSZKNLRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O4S/c1-13(22-23-28(25,26)17-10-6-15(20)7-11-17)14-4-8-16(9-5-14)21-19(24)18-3-2-12-27-18/h2-12,23H,1H3,(H,21,24).
What are the key properties of N-[4-[N-[(4-bromophenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide?
N-[4-[N-[(4-bromophenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide has a molecular weight of 462.33 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[N-[(4-bromophenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 3410410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).