[5-chloro-4-[[6-chloro-4-(furan-3-yl)-3-pyridinyl]oxy]-2-fluorophenyl]sulfonyl-(1,3-thiazol-4-yl)carbamic acid

C19H10Cl2FN3O6S2 — CID 90099860

IUPAC[5-chloro-4-[[6-chloro-4-(furan-3-yl)-3-pyridinyl]oxy]-2-fluorophenyl]sulfonyl-(1,3-thiazol-4-yl)carbamic acid
SMILESO=C(O)N(c1cscn1)S(=O)(=O)c1cc(Cl)c(Oc2cnc(Cl)cc2-c2ccoc2)cc1F
InChIInChI=1S/C19H10Cl2FN3O6S2/c20-12-4-16(33(28,29)25(19(26)27)18-8-32-9-24-18)13(22)5-14(12)31-15-6-23-17(21)3-11(15)10-1-2-30-7-10/h1-9H,(H,26,27)
InChIKeyZXQLHTHZFOLORA-UHFFFAOYSA-N
MW530.34 g/mol
LogP5.91
Rot. Bonds6

About [5-chloro-4-[[6-chloro-4-(furan-3-yl)-3-pyridinyl]oxy]-2-fluorophenyl]sulfonyl-(1,3-thiazol-4-yl)carbamic acid

[5-chloro-4-[[6-chloro-4-(furan-3-yl)-3-pyridinyl]oxy]-2-fluorophenyl]sulfonyl-(1,3-thiazol-4-yl)carbamic acid (PubChem CID 90099860) has the molecular formula C19H10Cl2FN3O6S2 and a molecular weight of 530.34 g/mol. Its IUPAC name is [5-chloro-4-[[6-chloro-4-(furan-3-yl)-3-pyridinyl]oxy]-2-fluorophenyl]sulfonyl-(1,3-thiazol-4-yl)carbamic acid.

Molecular Properties

Compound Name[5-chloro-4-[[6-chloro-4-(furan-3-yl)-3-pyridinyl]oxy]-2-fluorophenyl]sulfonyl-(1,3-thiazol-4-yl)carbamic acid
PubChem CID90099860
Molecular FormulaC19H10Cl2FN3O6S2
Molecular Weight530.34 g/mol
Exact Mass528.94
IUPAC Name[5-chloro-4-[[6-chloro-4-(furan-3-yl)-3-pyridinyl]oxy]-2-fluorophenyl]sulfonyl-(1,3-thiazol-4-yl)carbamic acid
SMILESO=C(O)N(c1cscn1)S(=O)(=O)c1cc(Cl)c(Oc2cnc(Cl)cc2-c2ccoc2)cc1F
InChIInChI=1S/C19H10Cl2FN3O6S2/c20-12-4-16(33(28,29)25(19(26)27)18-8-32-9-24-18)13(22)5-14(12)31-15-6-23-17(21)3-11(15)10-1-2-30-7-10/h1-9H,(H,26,27)
InChIKeyZXQLHTHZFOLORA-UHFFFAOYSA-N
XLogP5.91
TPSA122.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.34
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze [5-chloro-4-[[6-chloro-4-(furan-3-yl)-3-pyridinyl]oxy]-2-fluorophenyl]sulfonyl-(1,3-thiazol-4-yl)carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-chloro-4-[[6-chloro-4-(furan-3-yl)-3-pyridinyl]oxy]-2-fluorophenyl]sulfonyl-(1,3-thiazol-4-yl)carbamic acid?
The IUPAC name of [5-chloro-4-[[6-chloro-4-(furan-3-yl)-3-pyridinyl]oxy]-2-fluorophenyl]sulfonyl-(1,3-thiazol-4-yl)carbamic acid (CID 90099860) is [5-chloro-4-[[6-chloro-4-(furan-3-yl)-3-pyridinyl]oxy]-2-fluorophenyl]sulfonyl-(1,3-thiazol-4-yl)carbamic acid.
What is the SMILES notation for [5-chloro-4-[[6-chloro-4-(furan-3-yl)-3-pyridinyl]oxy]-2-fluorophenyl]sulfonyl-(1,3-thiazol-4-yl)carbamic acid?
The canonical SMILES for [5-chloro-4-[[6-chloro-4-(furan-3-yl)-3-pyridinyl]oxy]-2-fluorophenyl]sulfonyl-(1,3-thiazol-4-yl)carbamic acid is O=C(O)N(c1cscn1)S(=O)(=O)c1cc(Cl)c(Oc2cnc(Cl)cc2-c2ccoc2)cc1F.
What is the InChIKey of [5-chloro-4-[[6-chloro-4-(furan-3-yl)-3-pyridinyl]oxy]-2-fluorophenyl]sulfonyl-(1,3-thiazol-4-yl)carbamic acid?
The InChIKey is ZXQLHTHZFOLORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10Cl2FN3O6S2/c20-12-4-16(33(28,29)25(19(26)27)18-8-32-9-24-18)13(22)5-14(12)31-15-6-23-17(21)3-11(15)10-1-2-30-7-10/h1-9H,(H,26,27).
What are the key properties of [5-chloro-4-[[6-chloro-4-(furan-3-yl)-3-pyridinyl]oxy]-2-fluorophenyl]sulfonyl-(1,3-thiazol-4-yl)carbamic acid?
[5-chloro-4-[[6-chloro-4-(furan-3-yl)-3-pyridinyl]oxy]-2-fluorophenyl]sulfonyl-(1,3-thiazol-4-yl)carbamic acid has a molecular weight of 530.34 g/mol, XLogP of 5.91, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-4-[[6-chloro-4-(furan-3-yl)-3-pyridinyl]oxy]-2-fluorophenyl]sulfonyl-(1,3-thiazol-4-yl)carbamic acid is sourced from PubChem (CID 90099860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).