[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2,4-dichloro-5-sulfamoylbenzoate

C18H12Cl2FN3O5S2 — CID 25048656

IUPAC[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2,4-dichloro-5-sulfamoylbenzoate
SMILESNS(=O)(=O)c1cc(C(=O)OCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)c(Cl)cc1Cl
InChIInChI=1S/C18H12Cl2FN3O5S2/c19-12-6-13(20)15(31(22,27)28)5-11(12)17(26)29-7-16(25)24-18-23-14(8-30-18)9-1-3-10(21)4-2-9/h1-6,8H,7H2,(H2,22,27,28)(H,23,24,25)
InChIKeyZXAMIBIKHYMZIN-UHFFFAOYSA-N
MW504.35 g/mol
LogP3.70
Rot. Bonds6

About [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2,4-dichloro-5-sulfamoylbenzoate

[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2,4-dichloro-5-sulfamoylbenzoate (PubChem CID 25048656) has the molecular formula C18H12Cl2FN3O5S2 and a molecular weight of 504.35 g/mol. Its IUPAC name is [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2,4-dichloro-5-sulfamoylbenzoate.

Molecular Properties

Compound Name[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2,4-dichloro-5-sulfamoylbenzoate
PubChem CID25048656
Molecular FormulaC18H12Cl2FN3O5S2
Molecular Weight504.35 g/mol
Exact Mass502.96
IUPAC Name[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2,4-dichloro-5-sulfamoylbenzoate
SMILESNS(=O)(=O)c1cc(C(=O)OCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)c(Cl)cc1Cl
InChIInChI=1S/C18H12Cl2FN3O5S2/c19-12-6-13(20)15(31(22,27)28)5-11(12)17(26)29-7-16(25)24-18-23-14(8-30-18)9-1-3-10(21)4-2-9/h1-6,8H,7H2,(H2,22,27,28)(H,23,24,25)
InChIKeyZXAMIBIKHYMZIN-UHFFFAOYSA-N
XLogP3.70
TPSA128.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.35
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2,4-dichloro-5-sulfamoylbenzoate with MolForge

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Related Compounds

[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
CID 2095406
[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 23768958
[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
CID 23987147
[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2,3,4-trichlorophenyl)quinoline-4-carboxylate
CID 23880378
[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 4-fluorobenzoate
CID 23988138
[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-iodobenzoate
CID 2409334
[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 8606412
2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1133114
[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate
CID 4692630
[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2,4,5-trimethylfuran-3-carboxylate
CID 18204805
2-(2-bromophenoxy)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19178781
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethyl-5-sulfamoylbenzamide
CID 78828075

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2,4-dichloro-5-sulfamoylbenzoate?
The IUPAC name of [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2,4-dichloro-5-sulfamoylbenzoate (CID 25048656) is [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2,4-dichloro-5-sulfamoylbenzoate.
What is the SMILES notation for [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2,4-dichloro-5-sulfamoylbenzoate?
The canonical SMILES for [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2,4-dichloro-5-sulfamoylbenzoate is NS(=O)(=O)c1cc(C(=O)OCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)c(Cl)cc1Cl.
What is the InChIKey of [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2,4-dichloro-5-sulfamoylbenzoate?
The InChIKey is ZXAMIBIKHYMZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2FN3O5S2/c19-12-6-13(20)15(31(22,27)28)5-11(12)17(26)29-7-16(25)24-18-23-14(8-30-18)9-1-3-10(21)4-2-9/h1-6,8H,7H2,(H2,22,27,28)(H,23,24,25).
What are the key properties of [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2,4-dichloro-5-sulfamoylbenzoate?
[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2,4-dichloro-5-sulfamoylbenzoate has a molecular weight of 504.35 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2,4-dichloro-5-sulfamoylbenzoate is sourced from PubChem (CID 25048656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).