2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[(2,6-difluorophenyl)methyl]acetamide

C18H15F2N3O3S2 — CID 16827182

IUPAC2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[(2,6-difluorophenyl)methyl]acetamide
SMILESO=C(Cc1csc(NS(=O)(=O)c2ccccc2)n1)NCc1c(F)cccc1F
InChIInChI=1S/C18H15F2N3O3S2/c19-15-7-4-8-16(20)14(15)10-21-17(24)9-12-11-27-18(22-12)23-28(25,26)13-5-2-1-3-6-13/h1-8,11H,9-10H2,(H,21,24)(H,22,23)
InChIKeyAREIXSLKPIQQCZ-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.08
Rot. Bonds7

About 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[(2,6-difluorophenyl)methyl]acetamide

2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[(2,6-difluorophenyl)methyl]acetamide (PubChem CID 16827182) has the molecular formula C18H15F2N3O3S2 and a molecular weight of 423.47 g/mol. Its IUPAC name is 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[(2,6-difluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[(2,6-difluorophenyl)methyl]acetamide
PubChem CID16827182
Molecular FormulaC18H15F2N3O3S2
Molecular Weight423.47 g/mol
Exact Mass423.05
IUPAC Name2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[(2,6-difluorophenyl)methyl]acetamide
SMILESO=C(Cc1csc(NS(=O)(=O)c2ccccc2)n1)NCc1c(F)cccc1F
InChIInChI=1S/C18H15F2N3O3S2/c19-15-7-4-8-16(20)14(15)10-21-17(24)9-12-11-27-18(22-12)23-28(25,26)13-5-2-1-3-6-13/h1-8,11H,9-10H2,(H,21,24)(H,22,23)
InChIKeyAREIXSLKPIQQCZ-UHFFFAOYSA-N
XLogP3.08
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[(2,6-difluorophenyl)methyl]acetamide?
The IUPAC name of 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[(2,6-difluorophenyl)methyl]acetamide (CID 16827182) is 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[(2,6-difluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[(2,6-difluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[(2,6-difluorophenyl)methyl]acetamide is O=C(Cc1csc(NS(=O)(=O)c2ccccc2)n1)NCc1c(F)cccc1F.
What is the InChIKey of 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[(2,6-difluorophenyl)methyl]acetamide?
The InChIKey is AREIXSLKPIQQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O3S2/c19-15-7-4-8-16(20)14(15)10-21-17(24)9-12-11-27-18(22-12)23-28(25,26)13-5-2-1-3-6-13/h1-8,11H,9-10H2,(H,21,24)(H,22,23).
What are the key properties of 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[(2,6-difluorophenyl)methyl]acetamide?
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[(2,6-difluorophenyl)methyl]acetamide has a molecular weight of 423.47 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[(2,6-difluorophenyl)methyl]acetamide is sourced from PubChem (CID 16827182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).