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

C28H24FN5O3S — CID 162651449

IUPAC3-fluoro-N-[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)c1cccc(F)c1
InChIInChI=1S/C28H24FN5O3S/c29-22-9-5-11-24(18-22)38(36,37)32-15-14-31-25-17-21(12-13-30-25)27-26(20-8-4-10-23(35)16-20)33-28(34-27)19-6-2-1-3-7-19/h1-13,16-18,32,35H,14-15H2,(H,30,31)(H,33,34)
InChIKeyDNHMZDNPGFIFNP-UHFFFAOYSA-N
MW529.60 g/mol
LogP5.04
Rot. Bonds9

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

3-fluoro-N-[2-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide (PubChem CID 162651449) has the molecular formula C28H24FN5O3S and a molecular weight of 529.60 g/mol. Its IUPAC name is 3-fluoro-N-[2-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide
PubChem CID162651449
Molecular FormulaC28H24FN5O3S
Molecular Weight529.60 g/mol
Exact Mass529.16
IUPAC Name3-fluoro-N-[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)c1cccc(F)c1
InChIInChI=1S/C28H24FN5O3S/c29-22-9-5-11-24(18-22)38(36,37)32-15-14-31-25-17-21(12-13-30-25)27-26(20-8-4-10-23(35)16-20)33-28(34-27)19-6-2-1-3-7-19/h1-13,16-18,32,35H,14-15H2,(H,30,31)(H,33,34)
InChIKeyDNHMZDNPGFIFNP-UHFFFAOYSA-N
XLogP5.04
TPSA120.00 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.60
LogP ≤ 55.04
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 3-fluoro-N-[2-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[2-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide (CID 162651449) is 3-fluoro-N-[2-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[2-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-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)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide?
The InChIKey is DNHMZDNPGFIFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN5O3S/c29-22-9-5-11-24(18-22)38(36,37)32-15-14-31-25-17-21(12-13-30-25)27-26(20-8-4-10-23(35)16-20)33-28(34-27)19-6-2-1-3-7-19/h1-13,16-18,32,35H,14-15H2,(H,30,31)(H,33,34).
What are the key properties of 3-fluoro-N-[2-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide?
3-fluoro-N-[2-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide has a molecular weight of 529.60 g/mol, XLogP of 5.04, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[[4-[4-(3-hydroxyphenyl)-2-phenyl-1H-imidazol-5-yl]-2-pyridinyl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 162651449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).