4-ethoxy-N-methyl-N-[(2-nitrophenyl)methyl]benzenesulfonamide

C16H18N2O5S — CID 34107068

IUPAC4-ethoxy-N-methyl-N-[(2-nitrophenyl)methyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H18N2O5S/c1-3-23-14-8-10-15(11-9-14)24(21,22)17(2)12-13-6-4-5-7-16(13)18(19)20/h4-11H,3,12H2,1-2H3
InChIKeyBNJADCKCVAPVGI-UHFFFAOYSA-N
MW350.40 g/mol
LogP2.81
Rot. Bonds7

About 4-ethoxy-N-methyl-N-[(2-nitrophenyl)methyl]benzenesulfonamide

4-ethoxy-N-methyl-N-[(2-nitrophenyl)methyl]benzenesulfonamide (PubChem CID 34107068) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is 4-ethoxy-N-methyl-N-[(2-nitrophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-methyl-N-[(2-nitrophenyl)methyl]benzenesulfonamide
PubChem CID34107068
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC Name4-ethoxy-N-methyl-N-[(2-nitrophenyl)methyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H18N2O5S/c1-3-23-14-8-10-15(11-9-14)24(21,22)17(2)12-13-6-4-5-7-16(13)18(19)20/h4-11H,3,12H2,1-2H3
InChIKeyBNJADCKCVAPVGI-UHFFFAOYSA-N
XLogP2.81
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.81
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

4-methoxy-N-methyl-N-[(2-methyl-3-nitrophenyl)methyl]benzenesulfonamide
CID 60523296
3-acetyl-N-methyl-N-[(2-nitrophenyl)methyl]benzenesulfonamide
CID 34107028
N-[(2,4-dimethoxyphenyl)methyl]-4-ethoxy-N-methylbenzenesulfonamide
CID 7937784
N-[(2-ethoxyphenyl)methyl]-N,4-dimethylbenzenesulfonamide
CID 26003303
N,2,5-trimethyl-N-[(2-nitrophenyl)methyl]benzenesulfonamide
CID 34107036
2-chloro-N-methyl-N-[(2-nitrophenyl)methyl]-1,3-thiazole-5-sulfonamide
CID 61045396
4-ethoxy-N-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 87032847
N-(4-ethoxyphenyl)-N-methyl-4-nitrobenzenesulfonamide
CID 99705183
N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 7510019
4-butoxy-N-methyl-N-[(2-nitrophenyl)methyl]benzamide
CID 112819451
4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]-2-nitrobenzenesulfonamide
CID 31070036
N,N-dibenzyl-4-ethoxybenzenesulfonamide
CID 1338803

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-methyl-N-[(2-nitrophenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-methyl-N-[(2-nitrophenyl)methyl]benzenesulfonamide (CID 34107068) is 4-ethoxy-N-methyl-N-[(2-nitrophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-methyl-N-[(2-nitrophenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-methyl-N-[(2-nitrophenyl)methyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of 4-ethoxy-N-methyl-N-[(2-nitrophenyl)methyl]benzenesulfonamide?
The InChIKey is BNJADCKCVAPVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-3-23-14-8-10-15(11-9-14)24(21,22)17(2)12-13-6-4-5-7-16(13)18(19)20/h4-11H,3,12H2,1-2H3.
What are the key properties of 4-ethoxy-N-methyl-N-[(2-nitrophenyl)methyl]benzenesulfonamide?
4-ethoxy-N-methyl-N-[(2-nitrophenyl)methyl]benzenesulfonamide has a molecular weight of 350.40 g/mol, XLogP of 2.81, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-methyl-N-[(2-nitrophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 34107068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).