2-methoxy-N-[(2-methylpropan-2-yl)oxy]-5-nitrobenzenesulfonamide

C11H16N2O6S — CID 82723411

IUPAC2-methoxy-N-[(2-methylpropan-2-yl)oxy]-5-nitrobenzenesulfonamide
SMILESCOc1ccc([N+](=O)[O-])cc1S(=O)(=O)NOC(C)(C)C
InChIInChI=1S/C11H16N2O6S/c1-11(2,3)19-12-20(16,17)10-7-8(13(14)15)5-6-9(10)18-4/h5-7,12H,1-4H3
InChIKeyWVKUMHOSAHJCIL-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.61
Rot. Bonds5

About 2-methoxy-N-[(2-methylpropan-2-yl)oxy]-5-nitrobenzenesulfonamide

2-methoxy-N-[(2-methylpropan-2-yl)oxy]-5-nitrobenzenesulfonamide (PubChem CID 82723411) has the molecular formula C11H16N2O6S and a molecular weight of 304.32 g/mol. Its IUPAC name is 2-methoxy-N-[(2-methylpropan-2-yl)oxy]-5-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[(2-methylpropan-2-yl)oxy]-5-nitrobenzenesulfonamide
PubChem CID82723411
Molecular FormulaC11H16N2O6S
Molecular Weight304.32 g/mol
Exact Mass304.07
IUPAC Name2-methoxy-N-[(2-methylpropan-2-yl)oxy]-5-nitrobenzenesulfonamide
SMILESCOc1ccc([N+](=O)[O-])cc1S(=O)(=O)NOC(C)(C)C
InChIInChI=1S/C11H16N2O6S/c1-11(2,3)19-12-20(16,17)10-7-8(13(14)15)5-6-9(10)18-4/h5-7,12H,1-4H3
InChIKeyWVKUMHOSAHJCIL-UHFFFAOYSA-N
XLogP1.61
TPSA107.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.61
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

N-(4-tert-butylphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8822435
N-(2,5-dimethoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8822749
2-methoxy-5-nitro-N-propylbenzenesulfonamide
CID 43213176
2-methoxy-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 3627288
N-[3-(aminomethyl)pentan-3-yl]-2-methoxy-5-nitrobenzenesulfonamide;hydrochloride
CID 119981158
N-but-3-yn-2-yl-2-methoxy-5-nitrobenzenesulfonamide
CID 114419146
N-(5-chloro-2-methoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8822417
2-methoxy-5-nitro-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 55434492
N-diazo-2-methoxy-5-nitrobenzenesulfonamide
CID 43286701
N-(1-amino-2,4-dimethylpentan-2-yl)-2-methoxy-5-nitrobenzenesulfonamide
CID 119985029
2-methoxy-5-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 8822400
N-(2-cyclopropyl-2-hydroxyethyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 63298724

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(2-methylpropan-2-yl)oxy]-5-nitrobenzenesulfonamide?
The IUPAC name of 2-methoxy-N-[(2-methylpropan-2-yl)oxy]-5-nitrobenzenesulfonamide (CID 82723411) is 2-methoxy-N-[(2-methylpropan-2-yl)oxy]-5-nitrobenzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-[(2-methylpropan-2-yl)oxy]-5-nitrobenzenesulfonamide?
The canonical SMILES for 2-methoxy-N-[(2-methylpropan-2-yl)oxy]-5-nitrobenzenesulfonamide is COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NOC(C)(C)C.
What is the InChIKey of 2-methoxy-N-[(2-methylpropan-2-yl)oxy]-5-nitrobenzenesulfonamide?
The InChIKey is WVKUMHOSAHJCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O6S/c1-11(2,3)19-12-20(16,17)10-7-8(13(14)15)5-6-9(10)18-4/h5-7,12H,1-4H3.
What are the key properties of 2-methoxy-N-[(2-methylpropan-2-yl)oxy]-5-nitrobenzenesulfonamide?
2-methoxy-N-[(2-methylpropan-2-yl)oxy]-5-nitrobenzenesulfonamide has a molecular weight of 304.32 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(2-methylpropan-2-yl)oxy]-5-nitrobenzenesulfonamide is sourced from PubChem (CID 82723411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).