N-(2-ethoxyphenyl)-4-nitrobenzenesulfonamide

C14H14N2O5S — CID 779776

IUPACN-(2-ethoxyphenyl)-4-nitrobenzenesulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H14N2O5S/c1-2-21-14-6-4-3-5-13(14)15-22(19,20)12-9-7-11(8-10-12)16(17)18/h3-10,15H,2H2,1H3
InChIKeyHCZZMHPBWAKKNO-UHFFFAOYSA-N
MW322.34 g/mol
LogP2.79
Rot. Bonds6

About N-(2-ethoxyphenyl)-4-nitrobenzenesulfonamide

N-(2-ethoxyphenyl)-4-nitrobenzenesulfonamide (PubChem CID 779776) has the molecular formula C14H14N2O5S and a molecular weight of 322.34 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-4-nitrobenzenesulfonamide
PubChem CID779776
Molecular FormulaC14H14N2O5S
Molecular Weight322.34 g/mol
Exact Mass322.06
IUPAC NameN-(2-ethoxyphenyl)-4-nitrobenzenesulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H14N2O5S/c1-2-21-14-6-4-3-5-13(14)15-22(19,20)12-9-7-11(8-10-12)16(17)18/h3-10,15H,2H2,1H3
InChIKeyHCZZMHPBWAKKNO-UHFFFAOYSA-N
XLogP2.79
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
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-ethoxy-N-(2-ethoxyphenyl)benzenesulfonamide
CID 7559506
N-(2-ethylphenyl)-4-nitrobenzenesulfonamide
CID 3980128
N-(2-ethoxyphenyl)-4-hydrazinylbenzenesulfonamide
CID 43454824
4-(aminomethyl)-N-(2-ethoxyphenyl)benzenesulfonamide
CID 28546723
2-ethoxy-N-(4-nitrophenyl)aniline
CID 4763832
4-(2-chloroethyl)-N-(2-ethoxyphenyl)benzenesulfonamide
CID 56690501
N-(2-ethoxypyrimidin-5-yl)-4-nitrobenzenesulfonamide
CID 122302186
N-(2-methoxy-4-nitrophenyl)-4-nitrobenzenesulfonamide
CID 3300221
ethyl 2-[4-[(2-ethoxyphenyl)sulfamoyl]phenoxy]acetate
CID 126143243
N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 2834884
2-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 68782623
4-bromo-N-(2-propoxyphenyl)benzenesulfonamide
CID 26952096

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-4-nitrobenzenesulfonamide?
The IUPAC name of N-(2-ethoxyphenyl)-4-nitrobenzenesulfonamide (CID 779776) is N-(2-ethoxyphenyl)-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-4-nitrobenzenesulfonamide?
The canonical SMILES for N-(2-ethoxyphenyl)-4-nitrobenzenesulfonamide is CCOc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2-ethoxyphenyl)-4-nitrobenzenesulfonamide?
The InChIKey is HCZZMHPBWAKKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5S/c1-2-21-14-6-4-3-5-13(14)15-22(19,20)12-9-7-11(8-10-12)16(17)18/h3-10,15H,2H2,1H3.
What are the key properties of N-(2-ethoxyphenyl)-4-nitrobenzenesulfonamide?
N-(2-ethoxyphenyl)-4-nitrobenzenesulfonamide has a molecular weight of 322.34 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-4-nitrobenzenesulfonamide is sourced from PubChem (CID 779776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).