N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-3-nitrobenzenesulfonamide

C14H16N2O6S — CID 90582794

IUPACN-(furan-3-ylmethyl)-N-(2-methoxyethyl)-3-nitrobenzenesulfonamide
SMILESCOCCN(Cc1ccoc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H16N2O6S/c1-21-8-6-15(10-12-5-7-22-11-12)23(19,20)14-4-2-3-13(9-14)16(17)18/h2-5,7,9,11H,6,8,10H2,1H3
InChIKeyQMSWWKQMVZENRV-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.03
Rot. Bonds8

About N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-3-nitrobenzenesulfonamide

N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-3-nitrobenzenesulfonamide (PubChem CID 90582794) has the molecular formula C14H16N2O6S and a molecular weight of 340.36 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-N-(2-methoxyethyl)-3-nitrobenzenesulfonamide
PubChem CID90582794
Molecular FormulaC14H16N2O6S
Molecular Weight340.36 g/mol
Exact Mass340.07
IUPAC NameN-(furan-3-ylmethyl)-N-(2-methoxyethyl)-3-nitrobenzenesulfonamide
SMILESCOCCN(Cc1ccoc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H16N2O6S/c1-21-8-6-15(10-12-5-7-22-11-12)23(19,20)14-4-2-3-13(9-14)16(17)18/h2-5,7,9,11H,6,8,10H2,1H3
InChIKeyQMSWWKQMVZENRV-UHFFFAOYSA-N
XLogP2.03
TPSA102.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.03
H-Bond Donors ≤ 50
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-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-nitrobenzenesulfonamide
CID 104626174
N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-3-methyl-4-propoxybenzenesulfonamide
CID 90582820
N-(furan-3-ylmethyl)-2-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 90582774
N-benzyl-N-ethyl-3-nitrobenzenesulfonamide
CID 39847517
N-(furan-3-ylmethyl)-N-(2-methoxyethyl)propane-1-sulfonamide
CID 90582754
N-(2-methoxyethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 31771604
N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-4-nitrobenzamide
CID 90582669
N-(furan-3-ylmethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 90583057
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-3-nitrobenzenesulfonamide
CID 178110665
methyl 3-[ethyl-(3-nitrophenyl)sulfonylamino]propanoate
CID 61010794
methyl 2-[(3-nitrophenyl)sulfonyl-propylamino]acetate
CID 61072138
N-(2-methoxyethyl)-4-methyl-3-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 39952752

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-3-nitrobenzenesulfonamide?
The IUPAC name of N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-3-nitrobenzenesulfonamide (CID 90582794) is N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-3-nitrobenzenesulfonamide?
The canonical SMILES for N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-3-nitrobenzenesulfonamide is COCCN(Cc1ccoc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-3-nitrobenzenesulfonamide?
The InChIKey is QMSWWKQMVZENRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O6S/c1-21-8-6-15(10-12-5-7-22-11-12)23(19,20)14-4-2-3-13(9-14)16(17)18/h2-5,7,9,11H,6,8,10H2,1H3.
What are the key properties of N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-3-nitrobenzenesulfonamide?
N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-3-nitrobenzenesulfonamide has a molecular weight of 340.36 g/mol, XLogP of 2.03, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-3-nitrobenzenesulfonamide is sourced from PubChem (CID 90582794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).