N-(4-cyclohexylsulfonylphenyl)-5-nitrofuran-2-carboxamide

C17H18N2O6S — CID 51035284

IUPACN-(4-cyclohexylsulfonylphenyl)-5-nitrofuran-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)C2CCCCC2)cc1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C17H18N2O6S/c20-17(15-10-11-16(25-15)19(21)22)18-12-6-8-14(9-7-12)26(23,24)13-4-2-1-3-5-13/h6-11,13H,1-5H2,(H,18,20)
InChIKeyUWLJSLHPKGMRJW-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.55
Rot. Bonds5

About N-(4-cyclohexylsulfonylphenyl)-5-nitrofuran-2-carboxamide

N-(4-cyclohexylsulfonylphenyl)-5-nitrofuran-2-carboxamide (PubChem CID 51035284) has the molecular formula C17H18N2O6S and a molecular weight of 378.41 g/mol. Its IUPAC name is N-(4-cyclohexylsulfonylphenyl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyclohexylsulfonylphenyl)-5-nitrofuran-2-carboxamide
PubChem CID51035284
Molecular FormulaC17H18N2O6S
Molecular Weight378.41 g/mol
Exact Mass378.09
IUPAC NameN-(4-cyclohexylsulfonylphenyl)-5-nitrofuran-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)C2CCCCC2)cc1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C17H18N2O6S/c20-17(15-10-11-16(25-15)19(21)22)18-12-6-8-14(9-7-12)26(23,24)13-4-2-1-3-5-13/h6-11,13H,1-5H2,(H,18,20)
InChIKeyUWLJSLHPKGMRJW-UHFFFAOYSA-N
XLogP3.55
TPSA119.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.55
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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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylsulfonylphenyl)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(4-cyclohexylsulfonylphenyl)-5-nitrofuran-2-carboxamide (CID 51035284) is N-(4-cyclohexylsulfonylphenyl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(4-cyclohexylsulfonylphenyl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(4-cyclohexylsulfonylphenyl)-5-nitrofuran-2-carboxamide is O=C(Nc1ccc(S(=O)(=O)C2CCCCC2)cc1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-(4-cyclohexylsulfonylphenyl)-5-nitrofuran-2-carboxamide?
The InChIKey is UWLJSLHPKGMRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O6S/c20-17(15-10-11-16(25-15)19(21)22)18-12-6-8-14(9-7-12)26(23,24)13-4-2-1-3-5-13/h6-11,13H,1-5H2,(H,18,20).
What are the key properties of N-(4-cyclohexylsulfonylphenyl)-5-nitrofuran-2-carboxamide?
N-(4-cyclohexylsulfonylphenyl)-5-nitrofuran-2-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylsulfonylphenyl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 51035284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).