N-(furan-2-ylmethyl)-2-[(4-methoxy-3-nitrophenyl)sulfonylamino]benzamide

C19H17N3O7S — CID 26982526

IUPACN-(furan-2-ylmethyl)-2-[(4-methoxy-3-nitrophenyl)sulfonylamino]benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H17N3O7S/c1-28-18-9-8-14(11-17(18)22(24)25)30(26,27)21-16-7-3-2-6-15(16)19(23)20-12-13-5-4-10-29-13/h2-11,21H,12H2,1H3,(H,20,23)
InChIKeyUBOUMNPKAKPUIB-UHFFFAOYSA-N
MW431.43 g/mol
LogP2.93
Rot. Bonds8

About N-(furan-2-ylmethyl)-2-[(4-methoxy-3-nitrophenyl)sulfonylamino]benzamide

N-(furan-2-ylmethyl)-2-[(4-methoxy-3-nitrophenyl)sulfonylamino]benzamide (PubChem CID 26982526) has the molecular formula C19H17N3O7S and a molecular weight of 431.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(4-methoxy-3-nitrophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(4-methoxy-3-nitrophenyl)sulfonylamino]benzamide
PubChem CID26982526
Molecular FormulaC19H17N3O7S
Molecular Weight431.43 g/mol
Exact Mass431.08
IUPAC NameN-(furan-2-ylmethyl)-2-[(4-methoxy-3-nitrophenyl)sulfonylamino]benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H17N3O7S/c1-28-18-9-8-14(11-17(18)22(24)25)30(26,27)21-16-7-3-2-6-15(16)19(23)20-12-13-5-4-10-29-13/h2-11,21H,12H2,1H3,(H,20,23)
InChIKeyUBOUMNPKAKPUIB-UHFFFAOYSA-N
XLogP2.93
TPSA140.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.43
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)sulfonylamino]benzamide
CID 51170390
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 1112090
4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]sulfamoyl]benzoate
CID 8603467
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 25469575
N-(2-chlorophenyl)-4-methoxy-3-nitrobenzenesulfonamide
CID 3964142
4-methoxy-3-nitro-N-(2-phenylphenyl)benzenesulfonamide
CID 7939180
N-(furan-2-ylmethyl)-2,4,5-trimethoxybenzamide
CID 1089288
5-bromo-2-[(4-methoxy-3-nitrophenyl)sulfonylamino]benzoic acid
CID 21065061
[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-[(2-methoxyphenyl)sulfamoyl]benzoate
CID 2352929
5-ethoxy-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-methoxy-2-nitrobenzamide
CID 31638717
N-(furan-2-ylmethyl)-4-[(4-methoxy-3-nitrobenzoyl)amino]-1-methylpyrazole-5-carboxamide
CID 19398087
N-(furan-2-ylmethyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 7473626

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(4-methoxy-3-nitrophenyl)sulfonylamino]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(4-methoxy-3-nitrophenyl)sulfonylamino]benzamide (CID 26982526) is N-(furan-2-ylmethyl)-2-[(4-methoxy-3-nitrophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(4-methoxy-3-nitrophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(4-methoxy-3-nitrophenyl)sulfonylamino]benzamide is COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1[N+](=O)[O-].
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(4-methoxy-3-nitrophenyl)sulfonylamino]benzamide?
The InChIKey is UBOUMNPKAKPUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O7S/c1-28-18-9-8-14(11-17(18)22(24)25)30(26,27)21-16-7-3-2-6-15(16)19(23)20-12-13-5-4-10-29-13/h2-11,21H,12H2,1H3,(H,20,23).
What are the key properties of N-(furan-2-ylmethyl)-2-[(4-methoxy-3-nitrophenyl)sulfonylamino]benzamide?
N-(furan-2-ylmethyl)-2-[(4-methoxy-3-nitrophenyl)sulfonylamino]benzamide has a molecular weight of 431.43 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(4-methoxy-3-nitrophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 26982526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).