N-(4-ethoxyphenyl)-N-methyl-4-nitrobenzenesulfonamide

C15H16N2O5S — CID 99705183

IUPACN-(4-ethoxyphenyl)-N-methyl-4-nitrobenzenesulfonamide
SMILESCCOc1ccc(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C15H16N2O5S/c1-3-22-14-8-4-12(5-9-14)16(2)23(20,21)15-10-6-13(7-11-15)17(18)19/h4-11H,3H2,1-2H3
InChIKeyOLRLNZOQCJRBDQ-UHFFFAOYSA-N
MW336.37 g/mol
LogP2.82
Rot. Bonds6

About N-(4-ethoxyphenyl)-N-methyl-4-nitrobenzenesulfonamide

N-(4-ethoxyphenyl)-N-methyl-4-nitrobenzenesulfonamide (PubChem CID 99705183) has the molecular formula C15H16N2O5S and a molecular weight of 336.37 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-N-methyl-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-N-methyl-4-nitrobenzenesulfonamide
PubChem CID99705183
Molecular FormulaC15H16N2O5S
Molecular Weight336.37 g/mol
Exact Mass336.08
IUPAC NameN-(4-ethoxyphenyl)-N-methyl-4-nitrobenzenesulfonamide
SMILESCCOc1ccc(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C15H16N2O5S/c1-3-22-14-8-4-12(5-9-14)16(2)23(20,21)15-10-6-13(7-11-15)17(18)19/h4-11H,3H2,1-2H3
InChIKeyOLRLNZOQCJRBDQ-UHFFFAOYSA-N
XLogP2.82
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 52.82
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-(4-ethoxyphenyl)-4-nitro-N-prop-2-enylbenzenesulfonamide
CID 100525941
[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]acetate
CID 23733083
N-(4-acetylphenyl)-N-methyl-4-nitrobenzenesulfonamide
CID 11537316
N,N-bis(4-ethoxyphenyl)-4-[(E)-2-(4-nitrophenyl)ethenyl]aniline
CID 102288244
N-(4-ethoxyphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide
CID 99705186
2-amino-N-methyl-N-(4-nitrophenyl)pyrimidine-5-sulfonamide
CID 62142843
2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-methyl-N-phenylacetamide
CID 55346376
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethoxy-N-methylbenzenesulfonamide
CID 95969458
4-fluoro-N-methyl-N-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]benzenesulfonamide
CID 31244284
[4-[methyl(phenyl)sulfamoyl]phenyl] 4-nitrobenzoate
CID 139645113
4-ethoxy-N-(3-fluorophenyl)-N-methylbenzenesulfonamide
CID 99695461
N-(4-ethoxyphenyl)-N-methylpyridine-3-sulfonamide
CID 56794329

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-N-methyl-4-nitrobenzenesulfonamide?
The IUPAC name of N-(4-ethoxyphenyl)-N-methyl-4-nitrobenzenesulfonamide (CID 99705183) is N-(4-ethoxyphenyl)-N-methyl-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-N-methyl-4-nitrobenzenesulfonamide?
The canonical SMILES for N-(4-ethoxyphenyl)-N-methyl-4-nitrobenzenesulfonamide is CCOc1ccc(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-N-methyl-4-nitrobenzenesulfonamide?
The InChIKey is OLRLNZOQCJRBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S/c1-3-22-14-8-4-12(5-9-14)16(2)23(20,21)15-10-6-13(7-11-15)17(18)19/h4-11H,3H2,1-2H3.
What are the key properties of N-(4-ethoxyphenyl)-N-methyl-4-nitrobenzenesulfonamide?
N-(4-ethoxyphenyl)-N-methyl-4-nitrobenzenesulfonamide has a molecular weight of 336.37 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-N-methyl-4-nitrobenzenesulfonamide is sourced from PubChem (CID 99705183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).