N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1-(2-nitrophenyl)methanesulfonamide

C12H18N2O6S — CID 104624310

IUPACN-(2-hydroxyethyl)-N-(2-methoxyethyl)-1-(2-nitrophenyl)methanesulfonamide
SMILESCOCCN(CCO)S(=O)(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H18N2O6S/c1-20-9-7-13(6-8-15)21(18,19)10-11-4-2-3-5-12(11)14(16)17/h2-5,15H,6-10H2,1H3
InChIKeyXSQZNGOGSIOIRX-UHFFFAOYSA-N
MW318.35 g/mol
LogP0.37
Rot. Bonds9

About N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1-(2-nitrophenyl)methanesulfonamide

N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1-(2-nitrophenyl)methanesulfonamide (PubChem CID 104624310) has the molecular formula C12H18N2O6S and a molecular weight of 318.35 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1-(2-nitrophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(2-methoxyethyl)-1-(2-nitrophenyl)methanesulfonamide
PubChem CID104624310
Molecular FormulaC12H18N2O6S
Molecular Weight318.35 g/mol
Exact Mass318.09
IUPAC NameN-(2-hydroxyethyl)-N-(2-methoxyethyl)-1-(2-nitrophenyl)methanesulfonamide
SMILESCOCCN(CCO)S(=O)(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H18N2O6S/c1-20-9-7-13(6-8-15)21(18,19)10-11-4-2-3-5-12(11)14(16)17/h2-5,15H,6-10H2,1H3
InChIKeyXSQZNGOGSIOIRX-UHFFFAOYSA-N
XLogP0.37
TPSA109.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 50.37
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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Related Compounds

2-methoxy-N-(2-methoxyethyl)-N-[(2-nitrophenyl)methyl]ethanamine
CID 78807389
N-(cyanomethyl)-1-(2-nitrophenyl)-N-propylmethanesulfonamide
CID 62021060
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-nitrobenzenesulfonamide
CID 104626174
N-[2-(dimethylamino)phenyl]-N-methyl-1-(2-nitrophenyl)methanesulfonamide
CID 75522296
ethane;1-(3-methoxypropyl)-2-nitrobenzene
CID 91018205
2-methyl-2-[methyl-[(2-nitrophenyl)methylsulfonyl]amino]propanoic acid
CID 62818179
N-(2-cyanoethyl)-1-(2-cyanophenyl)-N-(2-methoxyethyl)methanesulfonamide
CID 63286913
N-(2-methoxyethyl)-N-methyl-2-nitrobenzenesulfonamide
CID 47306069
N-(2-methoxyethoxy)-2-(2-nitrophenyl)ethanamine
CID 82722032
4-methyl-N'-(2-methylpropyl)-N'-[(2-nitrophenyl)methylsulfonyl]pentanehydrazide
CID 91153349
N-(2-cyanoethyl)-1-(2-nitrophenyl)-N-propan-2-ylmethanesulfonamide
CID 62020510
methanol;(2-nitrophenyl)methanol
CID 70046885

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1-(2-nitrophenyl)methanesulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1-(2-nitrophenyl)methanesulfonamide (CID 104624310) is N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1-(2-nitrophenyl)methanesulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1-(2-nitrophenyl)methanesulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1-(2-nitrophenyl)methanesulfonamide is COCCN(CCO)S(=O)(=O)Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1-(2-nitrophenyl)methanesulfonamide?
The InChIKey is XSQZNGOGSIOIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O6S/c1-20-9-7-13(6-8-15)21(18,19)10-11-4-2-3-5-12(11)14(16)17/h2-5,15H,6-10H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1-(2-nitrophenyl)methanesulfonamide?
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1-(2-nitrophenyl)methanesulfonamide has a molecular weight of 318.35 g/mol, XLogP of 0.37, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1-(2-nitrophenyl)methanesulfonamide is sourced from PubChem (CID 104624310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).