N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-4-methoxy-3-nitrobenzenesulfonamide

C19H23N3O9S2 — CID 24982243

IUPACN-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-4-methoxy-3-nitrobenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C19H23N3O9S2/c1-3-31-18-6-5-15(33(27,28)21-8-10-30-11-9-21)12-16(18)20-32(25,26)14-4-7-19(29-2)17(13-14)22(23)24/h4-7,12-13,20H,3,8-11H2,1-2H3
InChIKeyUUZWRGATSHZSNP-UHFFFAOYSA-N
MW501.54 g/mol
LogP1.82
Rot. Bonds9

About N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-4-methoxy-3-nitrobenzenesulfonamide

N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-4-methoxy-3-nitrobenzenesulfonamide (PubChem CID 24982243) has the molecular formula C19H23N3O9S2 and a molecular weight of 501.54 g/mol. Its IUPAC name is N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-4-methoxy-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-4-methoxy-3-nitrobenzenesulfonamide
PubChem CID24982243
Molecular FormulaC19H23N3O9S2
Molecular Weight501.54 g/mol
Exact Mass501.09
IUPAC NameN-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-4-methoxy-3-nitrobenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C19H23N3O9S2/c1-3-31-18-6-5-15(33(27,28)21-8-10-30-11-9-21)12-16(18)20-32(25,26)14-4-7-19(29-2)17(13-14)22(23)24/h4-7,12-13,20H,3,8-11H2,1-2H3
InChIKeyUUZWRGATSHZSNP-UHFFFAOYSA-N
XLogP1.82
TPSA154.38 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.54
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-4-methoxy-3-nitrobenzenesulfonamide?
The IUPAC name of N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-4-methoxy-3-nitrobenzenesulfonamide (CID 24982243) is N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-4-methoxy-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-4-methoxy-3-nitrobenzenesulfonamide?
The canonical SMILES for N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-4-methoxy-3-nitrobenzenesulfonamide is CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1.
What is the InChIKey of N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-4-methoxy-3-nitrobenzenesulfonamide?
The InChIKey is UUZWRGATSHZSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O9S2/c1-3-31-18-6-5-15(33(27,28)21-8-10-30-11-9-21)12-16(18)20-32(25,26)14-4-7-19(29-2)17(13-14)22(23)24/h4-7,12-13,20H,3,8-11H2,1-2H3.
What are the key properties of N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-4-methoxy-3-nitrobenzenesulfonamide?
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-4-methoxy-3-nitrobenzenesulfonamide has a molecular weight of 501.54 g/mol, XLogP of 1.82, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-4-methoxy-3-nitrobenzenesulfonamide is sourced from PubChem (CID 24982243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).