2-chloro-5-[[2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]-ethylsulfamoyl]benzoic acid

C19H15Cl2FN2O4S2 — CID 91362812

IUPAC2-chloro-5-[[2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]-ethylsulfamoyl]benzoic acid
SMILESCCN(c1nc(-c2cccc(Cl)c2F)sc1C)S(=O)(=O)c1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C19H15Cl2FN2O4S2/c1-3-24(30(27,28)11-7-8-14(20)13(9-11)19(25)26)17-10(2)29-18(23-17)12-5-4-6-15(21)16(12)22/h4-9H,3H2,1-2H3,(H,25,26)
InChIKeyIFYVVAOTFYEGEF-UHFFFAOYSA-N
MW489.38 g/mol
LogP5.48
Rot. Bonds6

About 2-chloro-5-[[2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]-ethylsulfamoyl]benzoic acid

2-chloro-5-[[2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]-ethylsulfamoyl]benzoic acid (PubChem CID 91362812) has the molecular formula C19H15Cl2FN2O4S2 and a molecular weight of 489.38 g/mol. Its IUPAC name is 2-chloro-5-[[2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]-ethylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[[2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]-ethylsulfamoyl]benzoic acid
PubChem CID91362812
Molecular FormulaC19H15Cl2FN2O4S2
Molecular Weight489.38 g/mol
Exact Mass487.98
IUPAC Name2-chloro-5-[[2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]-ethylsulfamoyl]benzoic acid
SMILESCCN(c1nc(-c2cccc(Cl)c2F)sc1C)S(=O)(=O)c1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C19H15Cl2FN2O4S2/c1-3-24(30(27,28)11-7-8-14(20)13(9-11)19(25)26)17-10(2)29-18(23-17)12-5-4-6-15(21)16(12)22/h4-9H,3H2,1-2H3,(H,25,26)
InChIKeyIFYVVAOTFYEGEF-UHFFFAOYSA-N
XLogP5.48
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.38
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-5-[[2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]-ethylsulfamoyl]benzoic acid with MolForge

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Related Compounds

2-chloro-5-[ethyl-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]sulfamoyl]benzoic acid
CID 69232129
5-[ethyl-(5-methyl-2-phenyl-1,3-thiazol-4-yl)sulfamoyl]-2,3-dimethylbenzoic acid
CID 69235589
5-[ethyl-[5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]sulfamoyl]-2-methylbenzoic acid
CID 69235525
2-[2-(3-chloro-2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 64661888
methyl 5-[ethyl-[5-methyl-2-(4-methylphenyl)-1,3-thiazol-4-yl]sulfamoyl]-2,3-dimethylbenzoate
CID 69234072
5-acetyl-2-(3-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 106696128
2-chloro-5-(dimethylsulfamoyl)benzoic acid
CID 2324784
2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 4810483
2-chloro-5-[2,2-dichloroethyl(ethyl)sulfamoyl]benzoic acid
CID 70536672
3,4-dichloro-N-ethyl-N-phenylbenzenesulfonamide
CID 2234505
5-[ethyl-[2-(4-methylphenyl)-1,3-thiazol-4-yl]sulfamoyl]-2-methylbenzoic acid
CID 69236674
2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]benzoic acid
CID 2375923

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]-ethylsulfamoyl]benzoic acid?
The IUPAC name of 2-chloro-5-[[2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]-ethylsulfamoyl]benzoic acid (CID 91362812) is 2-chloro-5-[[2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]-ethylsulfamoyl]benzoic acid.
What is the SMILES notation for 2-chloro-5-[[2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]-ethylsulfamoyl]benzoic acid?
The canonical SMILES for 2-chloro-5-[[2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]-ethylsulfamoyl]benzoic acid is CCN(c1nc(-c2cccc(Cl)c2F)sc1C)S(=O)(=O)c1ccc(Cl)c(C(=O)O)c1.
What is the InChIKey of 2-chloro-5-[[2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]-ethylsulfamoyl]benzoic acid?
The InChIKey is IFYVVAOTFYEGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2FN2O4S2/c1-3-24(30(27,28)11-7-8-14(20)13(9-11)19(25)26)17-10(2)29-18(23-17)12-5-4-6-15(21)16(12)22/h4-9H,3H2,1-2H3,(H,25,26).
What are the key properties of 2-chloro-5-[[2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]-ethylsulfamoyl]benzoic acid?
2-chloro-5-[[2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]-ethylsulfamoyl]benzoic acid has a molecular weight of 489.38 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazol-4-yl]-ethylsulfamoyl]benzoic acid is sourced from PubChem (CID 91362812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).