N-[2-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide

C28H25N5O3S — CID 162653488

IUPACN-[2-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCNc1cc(-c2[nH]c(-c3ccccc3)nc2-c2cccc(O)c2)ccn1)c1ccccc1
InChIInChI=1S/C28H25N5O3S/c34-23-11-7-10-21(18-23)26-27(33-28(32-26)20-8-3-1-4-9-20)22-14-15-29-25(19-22)30-16-17-31-37(35,36)24-12-5-2-6-13-24/h1-15,18-19,31,34H,16-17H2,(H,29,30)(H,32,33)
InChIKeyZKHJLULBHUMFNE-UHFFFAOYSA-N
MW511.61 g/mol
LogP4.90
Rot. Bonds9

About N-[2-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide

N-[2-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide (PubChem CID 162653488) has the molecular formula C28H25N5O3S and a molecular weight of 511.61 g/mol. Its IUPAC name is N-[2-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide
PubChem CID162653488
Molecular FormulaC28H25N5O3S
Molecular Weight511.61 g/mol
Exact Mass511.17
IUPAC NameN-[2-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCNc1cc(-c2[nH]c(-c3ccccc3)nc2-c2cccc(O)c2)ccn1)c1ccccc1
InChIInChI=1S/C28H25N5O3S/c34-23-11-7-10-21(18-23)26-27(33-28(32-26)20-8-3-1-4-9-20)22-14-15-29-25(19-22)30-16-17-31-37(35,36)24-12-5-2-6-13-24/h1-15,18-19,31,34H,16-17H2,(H,29,30)(H,32,33)
InChIKeyZKHJLULBHUMFNE-UHFFFAOYSA-N
XLogP4.90
TPSA120.00 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.61
LogP ≤ 54.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide?
The IUPAC name of N-[2-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide (CID 162653488) is N-[2-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide is O=S(=O)(NCCNc1cc(-c2[nH]c(-c3ccccc3)nc2-c2cccc(O)c2)ccn1)c1ccccc1.
What is the InChIKey of N-[2-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide?
The InChIKey is ZKHJLULBHUMFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O3S/c34-23-11-7-10-21(18-23)26-27(33-28(32-26)20-8-3-1-4-9-20)22-14-15-29-25(19-22)30-16-17-31-37(35,36)24-12-5-2-6-13-24/h1-15,18-19,31,34H,16-17H2,(H,29,30)(H,32,33).
What are the key properties of N-[2-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide?
N-[2-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide has a molecular weight of 511.61 g/mol, XLogP of 4.90, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 162653488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).