N-[5-(4-fluorophenyl)-4-pyridin-2-yl-1,3-thiazol-2-yl]-4-phenoxybenzenesulfonamide

C26H18FN3O3S2 — CID 122690873

IUPACN-[5-(4-fluorophenyl)-4-pyridin-2-yl-1,3-thiazol-2-yl]-4-phenoxybenzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2ccccn2)c(-c2ccc(F)cc2)s1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C26H18FN3O3S2/c27-19-11-9-18(10-12-19)25-24(23-8-4-5-17-28-23)29-26(34-25)30-35(31,32)22-15-13-21(14-16-22)33-20-6-2-1-3-7-20/h1-17H,(H,29,30)
InChIKeySVVBGCXKHODGGA-UHFFFAOYSA-N
MW503.58 g/mol
LogP6.60
Rot. Bonds7

About N-[5-(4-fluorophenyl)-4-pyridin-2-yl-1,3-thiazol-2-yl]-4-phenoxybenzenesulfonamide

N-[5-(4-fluorophenyl)-4-pyridin-2-yl-1,3-thiazol-2-yl]-4-phenoxybenzenesulfonamide (PubChem CID 122690873) has the molecular formula C26H18FN3O3S2 and a molecular weight of 503.58 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-4-pyridin-2-yl-1,3-thiazol-2-yl]-4-phenoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-4-pyridin-2-yl-1,3-thiazol-2-yl]-4-phenoxybenzenesulfonamide
PubChem CID122690873
Molecular FormulaC26H18FN3O3S2
Molecular Weight503.58 g/mol
Exact Mass503.08
IUPAC NameN-[5-(4-fluorophenyl)-4-pyridin-2-yl-1,3-thiazol-2-yl]-4-phenoxybenzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2ccccn2)c(-c2ccc(F)cc2)s1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C26H18FN3O3S2/c27-19-11-9-18(10-12-19)25-24(23-8-4-5-17-28-23)29-26(34-25)30-35(31,32)22-15-13-21(14-16-22)33-20-6-2-1-3-7-20/h1-17H,(H,29,30)
InChIKeySVVBGCXKHODGGA-UHFFFAOYSA-N
XLogP6.60
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.58
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_F(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-4-pyridin-2-yl-1,3-thiazol-2-yl]-4-phenoxybenzenesulfonamide?
The IUPAC name of N-[5-(4-fluorophenyl)-4-pyridin-2-yl-1,3-thiazol-2-yl]-4-phenoxybenzenesulfonamide (CID 122690873) is N-[5-(4-fluorophenyl)-4-pyridin-2-yl-1,3-thiazol-2-yl]-4-phenoxybenzenesulfonamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-4-pyridin-2-yl-1,3-thiazol-2-yl]-4-phenoxybenzenesulfonamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-4-pyridin-2-yl-1,3-thiazol-2-yl]-4-phenoxybenzenesulfonamide is O=S(=O)(Nc1nc(-c2ccccn2)c(-c2ccc(F)cc2)s1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[5-(4-fluorophenyl)-4-pyridin-2-yl-1,3-thiazol-2-yl]-4-phenoxybenzenesulfonamide?
The InChIKey is SVVBGCXKHODGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18FN3O3S2/c27-19-11-9-18(10-12-19)25-24(23-8-4-5-17-28-23)29-26(34-25)30-35(31,32)22-15-13-21(14-16-22)33-20-6-2-1-3-7-20/h1-17H,(H,29,30).
What are the key properties of N-[5-(4-fluorophenyl)-4-pyridin-2-yl-1,3-thiazol-2-yl]-4-phenoxybenzenesulfonamide?
N-[5-(4-fluorophenyl)-4-pyridin-2-yl-1,3-thiazol-2-yl]-4-phenoxybenzenesulfonamide has a molecular weight of 503.58 g/mol, XLogP of 6.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-4-pyridin-2-yl-1,3-thiazol-2-yl]-4-phenoxybenzenesulfonamide is sourced from PubChem (CID 122690873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).