2-(3-methoxy-4-nitroanilino)-N-methylethanesulfonamide

C10H15N3O5S — CID 106337823

IUPAC2-(3-methoxy-4-nitroanilino)-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1ccc([N+](=O)[O-])c(OC)c1
InChIInChI=1S/C10H15N3O5S/c1-11-19(16,17)6-5-12-8-3-4-9(13(14)15)10(7-8)18-2/h3-4,7,11-12H,5-6H2,1-2H3
InChIKeyCWLMFYAFXMGGQR-UHFFFAOYSA-N
MW289.31 g/mol
LogP0.56
Rot. Bonds7

About 2-(3-methoxy-4-nitroanilino)-N-methylethanesulfonamide

2-(3-methoxy-4-nitroanilino)-N-methylethanesulfonamide (PubChem CID 106337823) has the molecular formula C10H15N3O5S and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-(3-methoxy-4-nitroanilino)-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-(3-methoxy-4-nitroanilino)-N-methylethanesulfonamide
PubChem CID106337823
Molecular FormulaC10H15N3O5S
Molecular Weight289.31 g/mol
Exact Mass289.07
IUPAC Name2-(3-methoxy-4-nitroanilino)-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1ccc([N+](=O)[O-])c(OC)c1
InChIInChI=1S/C10H15N3O5S/c1-11-19(16,17)6-5-12-8-3-4-9(13(14)15)10(7-8)18-2/h3-4,7,11-12H,5-6H2,1-2H3
InChIKeyCWLMFYAFXMGGQR-UHFFFAOYSA-N
XLogP0.56
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 50.56
H-Bond Donors ≤ 52
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-((2-Methoxy-4-nitrophenyl)amino)ethanol
CID 3017645
N-(2-hexyloxy-4-nitrophenyl)methanesulfonamide
CID 11493409
N-(2-Propyloxy-4-nitrophenyl)methanesulfonamide
CID 11680642
N-methyl-N-(2-cyclopentyloxy-4-nitrophenyl)methanesulfonamide
CID 11493374
N-Methyl-N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide
CID 11522728
N-methyl-N-(4-nitro-2-propoxyphenyl)methanesulfonamide
CID 11572824
N-methyl-N-(4-nitro-2-(pentan-3-yloxy)phenyl)methanesulfonamide
CID 11645369
N-(2-methoxy-4-nitrophenyl)methanesulfonamide
CID 3298129
2'-Methoxy-4'-nitroformanilide
CID 315885
1-(3-Methoxy-4-nitrophenyl)pyrrolidine
CID 2829640
N-(2-isopropoxy-4-nitrophenyl)-N-methylmethanesulfonamide
CID 11551000
N-(2-isopropyloxy-4-nitrophenyl)methanesulfonamide
CID 11644772

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-nitroanilino)-N-methylethanesulfonamide?
The IUPAC name of 2-(3-methoxy-4-nitroanilino)-N-methylethanesulfonamide (CID 106337823) is 2-(3-methoxy-4-nitroanilino)-N-methylethanesulfonamide.
What is the SMILES notation for 2-(3-methoxy-4-nitroanilino)-N-methylethanesulfonamide?
The canonical SMILES for 2-(3-methoxy-4-nitroanilino)-N-methylethanesulfonamide is CNS(=O)(=O)CCNc1ccc([N+](=O)[O-])c(OC)c1.
What is the InChIKey of 2-(3-methoxy-4-nitroanilino)-N-methylethanesulfonamide?
The InChIKey is CWLMFYAFXMGGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5S/c1-11-19(16,17)6-5-12-8-3-4-9(13(14)15)10(7-8)18-2/h3-4,7,11-12H,5-6H2,1-2H3.
What are the key properties of 2-(3-methoxy-4-nitroanilino)-N-methylethanesulfonamide?
2-(3-methoxy-4-nitroanilino)-N-methylethanesulfonamide has a molecular weight of 289.31 g/mol, XLogP of 0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-nitroanilino)-N-methylethanesulfonamide is sourced from PubChem (CID 106337823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).