N-ethyl-6-(4-nitrophenoxy)-N-phenylpyridine-3-sulfonamide

C19H17N3O5S — CID 24979847

IUPACN-ethyl-6-(4-nitrophenoxy)-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)nc1
InChIInChI=1S/C19H17N3O5S/c1-2-21(15-6-4-3-5-7-15)28(25,26)18-12-13-19(20-14-18)27-17-10-8-16(9-11-17)22(23)24/h3-14H,2H2,1H3
InChIKeyJEMTWJSYNVPOCX-UHFFFAOYSA-N
MW399.43 g/mol
LogP4.00
Rot. Bonds7

About N-ethyl-6-(4-nitrophenoxy)-N-phenylpyridine-3-sulfonamide

N-ethyl-6-(4-nitrophenoxy)-N-phenylpyridine-3-sulfonamide (PubChem CID 24979847) has the molecular formula C19H17N3O5S and a molecular weight of 399.43 g/mol. Its IUPAC name is N-ethyl-6-(4-nitrophenoxy)-N-phenylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-6-(4-nitrophenoxy)-N-phenylpyridine-3-sulfonamide
PubChem CID24979847
Molecular FormulaC19H17N3O5S
Molecular Weight399.43 g/mol
Exact Mass399.09
IUPAC NameN-ethyl-6-(4-nitrophenoxy)-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)nc1
InChIInChI=1S/C19H17N3O5S/c1-2-21(15-6-4-3-5-7-15)28(25,26)18-12-13-19(20-14-18)27-17-10-8-16(9-11-17)22(23)24/h3-14H,2H2,1H3
InChIKeyJEMTWJSYNVPOCX-UHFFFAOYSA-N
XLogP4.00
TPSA102.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-ethyl-6-(4-nitrophenoxy)-N-phenylpyridine-3-sulfonamide?
The IUPAC name of N-ethyl-6-(4-nitrophenoxy)-N-phenylpyridine-3-sulfonamide (CID 24979847) is N-ethyl-6-(4-nitrophenoxy)-N-phenylpyridine-3-sulfonamide.
What is the SMILES notation for N-ethyl-6-(4-nitrophenoxy)-N-phenylpyridine-3-sulfonamide?
The canonical SMILES for N-ethyl-6-(4-nitrophenoxy)-N-phenylpyridine-3-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)nc1.
What is the InChIKey of N-ethyl-6-(4-nitrophenoxy)-N-phenylpyridine-3-sulfonamide?
The InChIKey is JEMTWJSYNVPOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5S/c1-2-21(15-6-4-3-5-7-15)28(25,26)18-12-13-19(20-14-18)27-17-10-8-16(9-11-17)22(23)24/h3-14H,2H2,1H3.
What are the key properties of N-ethyl-6-(4-nitrophenoxy)-N-phenylpyridine-3-sulfonamide?
N-ethyl-6-(4-nitrophenoxy)-N-phenylpyridine-3-sulfonamide has a molecular weight of 399.43 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(4-nitrophenoxy)-N-phenylpyridine-3-sulfonamide is sourced from PubChem (CID 24979847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).