N-[4-[(3-bromophenyl)sulfonylamino]phenyl]-5-nitrofuran-2-carboxamide

C17H12BrN3O6S — CID 166631934

IUPACN-[4-[(3-bromophenyl)sulfonylamino]phenyl]-5-nitrofuran-2-carboxamide
SMILESO=C(Nc1ccc(NS(=O)(=O)c2cccc(Br)c2)cc1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C17H12BrN3O6S/c18-11-2-1-3-14(10-11)28(25,26)20-13-6-4-12(5-7-13)19-17(22)15-8-9-16(27-15)21(23)24/h1-10,20H,(H,19,22)
InChIKeyQWUODIUGMJYHNK-UHFFFAOYSA-N
MW466.27 g/mol
LogP4.00
Rot. Bonds6

About N-[4-[(3-bromophenyl)sulfonylamino]phenyl]-5-nitrofuran-2-carboxamide

N-[4-[(3-bromophenyl)sulfonylamino]phenyl]-5-nitrofuran-2-carboxamide (PubChem CID 166631934) has the molecular formula C17H12BrN3O6S and a molecular weight of 466.27 g/mol. Its IUPAC name is N-[4-[(3-bromophenyl)sulfonylamino]phenyl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-bromophenyl)sulfonylamino]phenyl]-5-nitrofuran-2-carboxamide
PubChem CID166631934
Molecular FormulaC17H12BrN3O6S
Molecular Weight466.27 g/mol
Exact Mass464.96
IUPAC NameN-[4-[(3-bromophenyl)sulfonylamino]phenyl]-5-nitrofuran-2-carboxamide
SMILESO=C(Nc1ccc(NS(=O)(=O)c2cccc(Br)c2)cc1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C17H12BrN3O6S/c18-11-2-1-3-14(10-11)28(25,26)20-13-6-4-12(5-7-13)19-17(22)15-8-9-16(27-15)21(23)24/h1-10,20H,(H,19,22)
InChIKeyQWUODIUGMJYHNK-UHFFFAOYSA-N
XLogP4.00
TPSA131.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.27
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromo-4-iodophenyl)-5-nitrofuran-2-carboxamide
CID 113230544
N-(4-anilinophenyl)-5-nitrofuran-2-carboxamide
CID 17146584
5-nitro-N-[4-(propylsulfamoyl)phenyl]furan-2-carboxamide
CID 17146702
ethane;5-nitro-N-phenylfuran-2-carboxamide
CID 145187045
N-(3-acetylphenyl)-5-nitrofuran-2-carboxamide
CID 823973
N-[3-(diethylsulfamoyl)phenyl]-5-nitrofuran-2-carboxamide
CID 8883872
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-nitrofuran-2-carboxamide
CID 112789454
N-[4-[(3-chlorobenzoyl)amino]phenyl]-5-nitrofuran-2-carboxamide
CID 3117355
N-(3,5-dimethylphenyl)-5-nitrofuran-2-carboxamide
CID 757048
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-nitrofuran-2-carboxamide
CID 112789500
5-nitro-N-[3-(propan-2-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 35117079
N-(3-morpholin-4-ylsulfonylphenyl)-5-nitrofuran-2-carboxamide
CID 17145961

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-bromophenyl)sulfonylamino]phenyl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[4-[(3-bromophenyl)sulfonylamino]phenyl]-5-nitrofuran-2-carboxamide (CID 166631934) is N-[4-[(3-bromophenyl)sulfonylamino]phenyl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[4-[(3-bromophenyl)sulfonylamino]phenyl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[4-[(3-bromophenyl)sulfonylamino]phenyl]-5-nitrofuran-2-carboxamide is O=C(Nc1ccc(NS(=O)(=O)c2cccc(Br)c2)cc1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-[4-[(3-bromophenyl)sulfonylamino]phenyl]-5-nitrofuran-2-carboxamide?
The InChIKey is QWUODIUGMJYHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN3O6S/c18-11-2-1-3-14(10-11)28(25,26)20-13-6-4-12(5-7-13)19-17(22)15-8-9-16(27-15)21(23)24/h1-10,20H,(H,19,22).
What are the key properties of N-[4-[(3-bromophenyl)sulfonylamino]phenyl]-5-nitrofuran-2-carboxamide?
N-[4-[(3-bromophenyl)sulfonylamino]phenyl]-5-nitrofuran-2-carboxamide has a molecular weight of 466.27 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-bromophenyl)sulfonylamino]phenyl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 166631934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).