N-ethyl-6-(4-imidazol-1-ylphenoxy)-N-phenylpyridine-3-sulfonamide

C22H20N4O3S — CID 2998528

IUPACN-ethyl-6-(4-imidazol-1-ylphenoxy)-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Oc2ccc(-n3ccnc3)cc2)nc1
InChIInChI=1S/C22H20N4O3S/c1-2-26(19-6-4-3-5-7-19)30(27,28)21-12-13-22(24-16-21)29-20-10-8-18(9-11-20)25-15-14-23-17-25/h3-17H,2H2,1H3
InChIKeyYCNNKNRMQROWBW-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.27
Rot. Bonds7

About N-ethyl-6-(4-imidazol-1-ylphenoxy)-N-phenylpyridine-3-sulfonamide

N-ethyl-6-(4-imidazol-1-ylphenoxy)-N-phenylpyridine-3-sulfonamide (PubChem CID 2998528) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-ethyl-6-(4-imidazol-1-ylphenoxy)-N-phenylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-6-(4-imidazol-1-ylphenoxy)-N-phenylpyridine-3-sulfonamide
PubChem CID2998528
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC NameN-ethyl-6-(4-imidazol-1-ylphenoxy)-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Oc2ccc(-n3ccnc3)cc2)nc1
InChIInChI=1S/C22H20N4O3S/c1-2-26(19-6-4-3-5-7-19)30(27,28)21-12-13-22(24-16-21)29-20-10-8-18(9-11-20)25-15-14-23-17-25/h3-17H,2H2,1H3
InChIKeyYCNNKNRMQROWBW-UHFFFAOYSA-N
XLogP4.27
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(4-imidazol-1-ylphenoxy)-N-phenylpyridine-3-sulfonamide?
The IUPAC name of N-ethyl-6-(4-imidazol-1-ylphenoxy)-N-phenylpyridine-3-sulfonamide (CID 2998528) is N-ethyl-6-(4-imidazol-1-ylphenoxy)-N-phenylpyridine-3-sulfonamide.
What is the SMILES notation for N-ethyl-6-(4-imidazol-1-ylphenoxy)-N-phenylpyridine-3-sulfonamide?
The canonical SMILES for N-ethyl-6-(4-imidazol-1-ylphenoxy)-N-phenylpyridine-3-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(Oc2ccc(-n3ccnc3)cc2)nc1.
What is the InChIKey of N-ethyl-6-(4-imidazol-1-ylphenoxy)-N-phenylpyridine-3-sulfonamide?
The InChIKey is YCNNKNRMQROWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c1-2-26(19-6-4-3-5-7-19)30(27,28)21-12-13-22(24-16-21)29-20-10-8-18(9-11-20)25-15-14-23-17-25/h3-17H,2H2,1H3.
What are the key properties of N-ethyl-6-(4-imidazol-1-ylphenoxy)-N-phenylpyridine-3-sulfonamide?
N-ethyl-6-(4-imidazol-1-ylphenoxy)-N-phenylpyridine-3-sulfonamide has a molecular weight of 420.49 g/mol, XLogP of 4.27, 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-imidazol-1-ylphenoxy)-N-phenylpyridine-3-sulfonamide is sourced from PubChem (CID 2998528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).