2-chloro-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-5-(propan-2-ylsulfamoyl)benzamide

C20H19Cl2N3O3S2 — CID 42353845

IUPAC2-chloro-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-5-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)c1
InChIInChI=1S/C20H19Cl2N3O3S2/c1-12(2)25-30(27,28)16-6-7-18(22)17(10-16)19(26)24-20-23-11-15(29-20)9-13-4-3-5-14(21)8-13/h3-8,10-12,25H,9H2,1-2H3,(H,23,24,26)
InChIKeyJGFUEYWZEWPWPC-UHFFFAOYSA-N
MW484.43 g/mol
LogP4.98
Rot. Bonds7

About 2-chloro-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-5-(propan-2-ylsulfamoyl)benzamide

2-chloro-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-5-(propan-2-ylsulfamoyl)benzamide (PubChem CID 42353845) has the molecular formula C20H19Cl2N3O3S2 and a molecular weight of 484.43 g/mol. Its IUPAC name is 2-chloro-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-5-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-5-(propan-2-ylsulfamoyl)benzamide
PubChem CID42353845
Molecular FormulaC20H19Cl2N3O3S2
Molecular Weight484.43 g/mol
Exact Mass483.02
IUPAC Name2-chloro-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-5-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)c1
InChIInChI=1S/C20H19Cl2N3O3S2/c1-12(2)25-30(27,28)16-6-7-18(22)17(10-16)19(26)24-20-23-11-15(29-20)9-13-4-3-5-14(21)8-13/h3-8,10-12,25H,9H2,1-2H3,(H,23,24,26)
InChIKeyJGFUEYWZEWPWPC-UHFFFAOYSA-N
XLogP4.98
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.43
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-5-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of 2-chloro-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-5-(propan-2-ylsulfamoyl)benzamide (CID 42353845) is 2-chloro-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-5-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for 2-chloro-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-5-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for 2-chloro-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-5-(propan-2-ylsulfamoyl)benzamide is CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)c1.
What is the InChIKey of 2-chloro-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-5-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is JGFUEYWZEWPWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O3S2/c1-12(2)25-30(27,28)16-6-7-18(22)17(10-16)19(26)24-20-23-11-15(29-20)9-13-4-3-5-14(21)8-13/h3-8,10-12,25H,9H2,1-2H3,(H,23,24,26).
What are the key properties of 2-chloro-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-5-(propan-2-ylsulfamoyl)benzamide?
2-chloro-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-5-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 484.43 g/mol, XLogP of 4.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-5-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 42353845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).