4-ethoxy-N-[(3-nitrophenyl)methyl]-N-prop-2-enylbenzenesulfonamide

C18H20N2O5S — CID 78766614

IUPAC4-ethoxy-N-[(3-nitrophenyl)methyl]-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(Cc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(OCC)cc1
InChIInChI=1S/C18H20N2O5S/c1-3-12-19(14-15-6-5-7-16(13-15)20(21)22)26(23,24)18-10-8-17(9-11-18)25-4-2/h3,5-11,13H,1,4,12,14H2,2H3
InChIKeyUHHYGAJEMMZFHM-UHFFFAOYSA-N
MW376.43 g/mol
LogP3.37
Rot. Bonds9

About 4-ethoxy-N-[(3-nitrophenyl)methyl]-N-prop-2-enylbenzenesulfonamide

4-ethoxy-N-[(3-nitrophenyl)methyl]-N-prop-2-enylbenzenesulfonamide (PubChem CID 78766614) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is 4-ethoxy-N-[(3-nitrophenyl)methyl]-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[(3-nitrophenyl)methyl]-N-prop-2-enylbenzenesulfonamide
PubChem CID78766614
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Name4-ethoxy-N-[(3-nitrophenyl)methyl]-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(Cc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(OCC)cc1
InChIInChI=1S/C18H20N2O5S/c1-3-12-19(14-15-6-5-7-16(13-15)20(21)22)26(23,24)18-10-8-17(9-11-18)25-4-2/h3,5-11,13H,1,4,12,14H2,2H3
InChIKeyUHHYGAJEMMZFHM-UHFFFAOYSA-N
XLogP3.37
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-ethoxy-N-[(3-nitrophenyl)methyl]-N-prop-2-enylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-4-ethoxy-N-prop-2-enylbenzenesulfonamide
CID 112788087
N-(4-ethoxyphenyl)-4-nitro-N-prop-2-enylbenzenesulfonamide
CID 100525941
4-methoxy-N-prop-2-enyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 112787907
N,N-dibenzyl-4-ethoxybenzenesulfonamide
CID 1338803
N-benzyl-N-ethyl-3-nitrobenzenesulfonamide
CID 39847517
(3-nitrophenyl) 4-ethoxybenzenesulfonate
CID 51169952
ethyl 4-[[(4-methoxyphenyl)methyl-(3-nitrophenyl)sulfonylamino]methyl]benzoate
CID 46371574
1-[(4-ethoxyphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium
CID 6981277
3-amino-N-[(3-nitrophenyl)methyl]-N-prop-2-enylpropanamide
CID 119308763
2-(4-ethoxy-N-(3-nitrophenyl)sulfonylanilino)acetamide
CID 50893011
N-(3-methoxyphenyl)-3-nitro-N-prop-2-enylbenzenesulfonamide
CID 100521024
N-(benzenesulfonyl)-N-(4-ethoxyphenyl)-3-nitrobenzamide
CID 19211370

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(3-nitrophenyl)methyl]-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[(3-nitrophenyl)methyl]-N-prop-2-enylbenzenesulfonamide (CID 78766614) is 4-ethoxy-N-[(3-nitrophenyl)methyl]-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[(3-nitrophenyl)methyl]-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[(3-nitrophenyl)methyl]-N-prop-2-enylbenzenesulfonamide is C=CCN(Cc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(OCC)cc1.
What is the InChIKey of 4-ethoxy-N-[(3-nitrophenyl)methyl]-N-prop-2-enylbenzenesulfonamide?
The InChIKey is UHHYGAJEMMZFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-3-12-19(14-15-6-5-7-16(13-15)20(21)22)26(23,24)18-10-8-17(9-11-18)25-4-2/h3,5-11,13H,1,4,12,14H2,2H3.
What are the key properties of 4-ethoxy-N-[(3-nitrophenyl)methyl]-N-prop-2-enylbenzenesulfonamide?
4-ethoxy-N-[(3-nitrophenyl)methyl]-N-prop-2-enylbenzenesulfonamide has a molecular weight of 376.43 g/mol, XLogP of 3.37, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(3-nitrophenyl)methyl]-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 78766614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).