N-[4-(4-nitrophenyl)sulfonylphenyl]furan-2-carboxamide

C17H12N2O6S — CID 26199992

IUPACN-[4-(4-nitrophenyl)sulfonylphenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccco1
InChIInChI=1S/C17H12N2O6S/c20-17(16-2-1-11-25-16)18-12-3-7-14(8-4-12)26(23,24)15-9-5-13(6-10-15)19(21)22/h1-11H,(H,18,20)
InChIKeyYZRGSIIGJWTINR-UHFFFAOYSA-N
MW372.36 g/mol
LogP3.27
Rot. Bonds5

About N-[4-(4-nitrophenyl)sulfonylphenyl]furan-2-carboxamide

N-[4-(4-nitrophenyl)sulfonylphenyl]furan-2-carboxamide (PubChem CID 26199992) has the molecular formula C17H12N2O6S and a molecular weight of 372.36 g/mol. Its IUPAC name is N-[4-(4-nitrophenyl)sulfonylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-nitrophenyl)sulfonylphenyl]furan-2-carboxamide
PubChem CID26199992
Molecular FormulaC17H12N2O6S
Molecular Weight372.36 g/mol
Exact Mass372.04
IUPAC NameN-[4-(4-nitrophenyl)sulfonylphenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccco1
InChIInChI=1S/C17H12N2O6S/c20-17(16-2-1-11-25-16)18-12-3-7-14(8-4-12)26(23,24)15-9-5-13(6-10-15)19(21)22/h1-11H,(H,18,20)
InChIKeyYZRGSIIGJWTINR-UHFFFAOYSA-N
XLogP3.27
TPSA119.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
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-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide
CID 1363218
N-[3-[(4-nitrobenzoyl)amino]phenyl]furan-2-carboxamide
CID 1333464
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[3-[(4-nitroanilino)methyl]phenyl]furan-2-carboxamide
CID 32878628
(E)-3-(furan-2-yl)-N-[4-(4-nitrophenyl)sulfonylphenyl]prop-2-enamide
CID 8922508
N-[4-[[(3-nitrophenyl)sulfonylamino]methyl]phenyl]furan-2-carboxamide
CID 112808765
N-[4-[[(3,5-dinitrobenzoyl)amino]methyl]phenyl]furan-2-carboxamide
CID 42017854
[4-(4-nitrophenyl)sulfonylphenyl]urea
CID 134093092
N-[4-[(2-chloro-5-nitrophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 17359174
N-[4-(dimethylsulfamoyl)phenyl]furan-2-carboxamide
CID 2672857
N-(3-fluoro-5-nitrophenyl)furan-2-carboxamide
CID 107335365
4-fluoro-N-[4-(4-nitrophenyl)sulfonylphenyl]benzamide
CID 8922506

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-nitrophenyl)sulfonylphenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(4-nitrophenyl)sulfonylphenyl]furan-2-carboxamide (CID 26199992) is N-[4-(4-nitrophenyl)sulfonylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(4-nitrophenyl)sulfonylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(4-nitrophenyl)sulfonylphenyl]furan-2-carboxamide is O=C(Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccco1.
What is the InChIKey of N-[4-(4-nitrophenyl)sulfonylphenyl]furan-2-carboxamide?
The InChIKey is YZRGSIIGJWTINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O6S/c20-17(16-2-1-11-25-16)18-12-3-7-14(8-4-12)26(23,24)15-9-5-13(6-10-15)19(21)22/h1-11H,(H,18,20).
What are the key properties of N-[4-(4-nitrophenyl)sulfonylphenyl]furan-2-carboxamide?
N-[4-(4-nitrophenyl)sulfonylphenyl]furan-2-carboxamide has a molecular weight of 372.36 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-nitrophenyl)sulfonylphenyl]furan-2-carboxamide is sourced from PubChem (CID 26199992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).