N-(2-methoxyethyl)-N-methyl-2-nitrobenzenesulfonamide

C10H14N2O5S — CID 47306069

IUPACN-(2-methoxyethyl)-N-methyl-2-nitrobenzenesulfonamide
SMILESCOCCN(C)S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H14N2O5S/c1-11(7-8-17-2)18(15,16)10-6-4-3-5-9(10)12(13)14/h3-6H,7-8H2,1-2H3
InChIKeyZHCVRVFUVROGGG-UHFFFAOYSA-N
MW274.30 g/mol
LogP0.86
Rot. Bonds6

About N-(2-methoxyethyl)-N-methyl-2-nitrobenzenesulfonamide

N-(2-methoxyethyl)-N-methyl-2-nitrobenzenesulfonamide (PubChem CID 47306069) has the molecular formula C10H14N2O5S and a molecular weight of 274.30 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-methyl-2-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-methyl-2-nitrobenzenesulfonamide
PubChem CID47306069
Molecular FormulaC10H14N2O5S
Molecular Weight274.30 g/mol
Exact Mass274.06
IUPAC NameN-(2-methoxyethyl)-N-methyl-2-nitrobenzenesulfonamide
SMILESCOCCN(C)S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H14N2O5S/c1-11(7-8-17-2)18(15,16)10-6-4-3-5-9(10)12(13)14/h3-6H,7-8H2,1-2H3
InChIKeyZHCVRVFUVROGGG-UHFFFAOYSA-N
XLogP0.86
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 50.86
H-Bond Donors ≤ 50
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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Related Compounds

N-methyl-2-nitro-N-propylbenzenesulfonamide
CID 86867161
N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-nitrobenzenesulfonamide
CID 26544797
N-(2-methoxyethyl)-2-[methyl-(2-nitrophenyl)sulfonylamino]acetamide
CID 38253533
2-[2-[2-[methyl-(2-nitrophenyl)sulfonylamino]ethoxy]ethoxy]ethylcarbamic acid
CID 90041316
2-amino-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 61125296
N-methoxy-N-[6-[methoxy(methyl)amino]hexyl]-2-nitrobenzenesulfonamide
CID 163792434
2-chloro-N-(2-methoxyethyl)-N-methyl-5-nitrobenzenesulfonamide
CID 61045808
dilithium bis(3-methoxy-4-[methyl-(2-nitrophenyl)sulfonylamino]butanoate)
CID 143840755
3-methoxy-4-[methyl-(2-nitrophenyl)sulfonylamino]butanoic acid
CID 59620493
N-[(2R)-butan-2-yl]-N-methyl-2-nitrobenzenesulfonamide
CID 11022024
3-amino-N-(3-methoxypropyl)-N-methyl-2-nitrobenzenesulfonamide
CID 115993611
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N-methyl-2-nitrobenzenesulfonamide
CID 170372081

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-methyl-2-nitrobenzenesulfonamide?
The IUPAC name of N-(2-methoxyethyl)-N-methyl-2-nitrobenzenesulfonamide (CID 47306069) is N-(2-methoxyethyl)-N-methyl-2-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-methyl-2-nitrobenzenesulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-N-methyl-2-nitrobenzenesulfonamide is COCCN(C)S(=O)(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(2-methoxyethyl)-N-methyl-2-nitrobenzenesulfonamide?
The InChIKey is ZHCVRVFUVROGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5S/c1-11(7-8-17-2)18(15,16)10-6-4-3-5-9(10)12(13)14/h3-6H,7-8H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-N-methyl-2-nitrobenzenesulfonamide?
N-(2-methoxyethyl)-N-methyl-2-nitrobenzenesulfonamide has a molecular weight of 274.30 g/mol, XLogP of 0.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-methyl-2-nitrobenzenesulfonamide is sourced from PubChem (CID 47306069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).