N-(furan-2-ylmethyl)-2-nitrobenzenesulfonamide

C11H10N2O5S — CID 676895

IUPACN-(furan-2-ylmethyl)-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)NCc1ccco1
InChIInChI=1S/C11H10N2O5S/c14-13(15)10-5-1-2-6-11(10)19(16,17)12-8-9-4-3-7-18-9/h1-7,12H,8H2
InChIKeyLBLWSOOAELDQCS-UHFFFAOYSA-N
MW282.28 g/mol
LogP1.67
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-nitrobenzenesulfonamide

N-(furan-2-ylmethyl)-2-nitrobenzenesulfonamide (PubChem CID 676895) has the molecular formula C11H10N2O5S and a molecular weight of 282.28 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-nitrobenzenesulfonamide
PubChem CID676895
Molecular FormulaC11H10N2O5S
Molecular Weight282.28 g/mol
Exact Mass282.03
IUPAC NameN-(furan-2-ylmethyl)-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)NCc1ccco1
InChIInChI=1S/C11H10N2O5S/c14-13(15)10-5-1-2-6-11(10)19(16,17)12-8-9-4-3-7-18-9/h1-7,12H,8H2
InChIKeyLBLWSOOAELDQCS-UHFFFAOYSA-N
XLogP1.67
TPSA102.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(furan-2-ylmethyl)-2-nitrobenzenesulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-nitrobenzenesulfonamide (CID 676895) is N-(furan-2-ylmethyl)-2-nitrobenzenesulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-nitrobenzenesulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-nitrobenzenesulfonamide is O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-nitrobenzenesulfonamide?
The InChIKey is LBLWSOOAELDQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O5S/c14-13(15)10-5-1-2-6-11(10)19(16,17)12-8-9-4-3-7-18-9/h1-7,12H,8H2.
What are the key properties of N-(furan-2-ylmethyl)-2-nitrobenzenesulfonamide?
N-(furan-2-ylmethyl)-2-nitrobenzenesulfonamide has a molecular weight of 282.28 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-nitrobenzenesulfonamide is sourced from PubChem (CID 676895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).