N-[4-[[(3-nitrophenyl)sulfonylamino]methyl]phenyl]furan-2-carboxamide

C18H15N3O6S — CID 112808765

IUPACN-[4-[[(3-nitrophenyl)sulfonylamino]methyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccco1
InChIInChI=1S/C18H15N3O6S/c22-18(17-5-2-10-27-17)20-14-8-6-13(7-9-14)12-19-28(25,26)16-4-1-3-15(11-16)21(23)24/h1-11,19H,12H2,(H,20,22)
InChIKeyULMQFBJVOTUZMF-UHFFFAOYSA-N
MW401.40 g/mol
LogP2.92
Rot. Bonds7

About N-[4-[[(3-nitrophenyl)sulfonylamino]methyl]phenyl]furan-2-carboxamide

N-[4-[[(3-nitrophenyl)sulfonylamino]methyl]phenyl]furan-2-carboxamide (PubChem CID 112808765) has the molecular formula C18H15N3O6S and a molecular weight of 401.40 g/mol. Its IUPAC name is N-[4-[[(3-nitrophenyl)sulfonylamino]methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[(3-nitrophenyl)sulfonylamino]methyl]phenyl]furan-2-carboxamide
PubChem CID112808765
Molecular FormulaC18H15N3O6S
Molecular Weight401.40 g/mol
Exact Mass401.07
IUPAC NameN-[4-[[(3-nitrophenyl)sulfonylamino]methyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccco1
InChIInChI=1S/C18H15N3O6S/c22-18(17-5-2-10-27-17)20-14-8-6-13(7-9-14)12-19-28(25,26)16-4-1-3-15(11-16)21(23)24/h1-11,19H,12H2,(H,20,22)
InChIKeyULMQFBJVOTUZMF-UHFFFAOYSA-N
XLogP2.92
TPSA131.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.40
LogP ≤ 52.92
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-[4-(benzylsulfamoyl)phenyl]furan-2-carboxamide
CID 1315512
N-[4-[[(4-fluorophenyl)sulfonylamino]methyl]phenyl]furan-2-carboxamide
CID 25476914
N-[4-(4-nitrophenyl)sulfonylphenyl]furan-2-carboxamide
CID 26199992
N-[4-[[(3,5-dinitrobenzoyl)amino]methyl]phenyl]furan-2-carboxamide
CID 42017854
N-[4-(benzylsulfamoyl)phenyl]-3,5-dinitrobenzamide
CID 4928896
N-[3-[(4-nitroanilino)methyl]phenyl]furan-2-carboxamide
CID 32878628
N-[(3-aminophenyl)methyl]-3-nitrobenzenesulfonamide
CID 43593516
1-(3-nitrophenyl)sulfonyl-3-[4-[[4-[(3-nitrophenyl)sulfonylcarbamoylamino]phenyl]methyl]phenyl]urea
CID 19966682
N-[4-[[(2,3,4-trifluorophenyl)sulfonylamino]methyl]phenyl]furan-2-carboxamide
CID 31112069
N-[4-[(diethylsulfamoylamino)methyl]phenyl]furan-2-carboxamide
CID 31112265
N-[3-[(4-nitrobenzoyl)amino]phenyl]furan-2-carboxamide
CID 1333464
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3-nitrophenyl)sulfonylamino]methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[(3-nitrophenyl)sulfonylamino]methyl]phenyl]furan-2-carboxamide (CID 112808765) is N-[4-[[(3-nitrophenyl)sulfonylamino]methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[(3-nitrophenyl)sulfonylamino]methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[(3-nitrophenyl)sulfonylamino]methyl]phenyl]furan-2-carboxamide is O=C(Nc1ccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccco1.
What is the InChIKey of N-[4-[[(3-nitrophenyl)sulfonylamino]methyl]phenyl]furan-2-carboxamide?
The InChIKey is ULMQFBJVOTUZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O6S/c22-18(17-5-2-10-27-17)20-14-8-6-13(7-9-14)12-19-28(25,26)16-4-1-3-15(11-16)21(23)24/h1-11,19H,12H2,(H,20,22).
What are the key properties of N-[4-[[(3-nitrophenyl)sulfonylamino]methyl]phenyl]furan-2-carboxamide?
N-[4-[[(3-nitrophenyl)sulfonylamino]methyl]phenyl]furan-2-carboxamide has a molecular weight of 401.40 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3-nitrophenyl)sulfonylamino]methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 112808765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).