2-(benzenesulfonamido)-N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide

C16H11F2N3O3S2 — CID 25405386

IUPAC2-(benzenesulfonamido)-N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1csc(NS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C16H11F2N3O3S2/c17-12-7-6-10(8-13(12)18)19-15(22)14-9-25-16(20-14)21-26(23,24)11-4-2-1-3-5-11/h1-9H,(H,19,22)(H,20,21)
InChIKeyUFFKSDSMDGPVOH-UHFFFAOYSA-N
MW395.41 g/mol
LogP3.47
Rot. Bonds5

About 2-(benzenesulfonamido)-N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide

2-(benzenesulfonamido)-N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 25405386) has the molecular formula C16H11F2N3O3S2 and a molecular weight of 395.41 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID25405386
Molecular FormulaC16H11F2N3O3S2
Molecular Weight395.41 g/mol
Exact Mass395.02
IUPAC Name2-(benzenesulfonamido)-N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1csc(NS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C16H11F2N3O3S2/c17-12-7-6-10(8-13(12)18)19-15(22)14-9-25-16(20-14)21-26(23,24)11-4-2-1-3-5-11/h1-9H,(H,19,22)(H,20,21)
InChIKeyUFFKSDSMDGPVOH-UHFFFAOYSA-N
XLogP3.47
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(benzenesulfonamido)-N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide (CID 25405386) is 2-(benzenesulfonamido)-N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1csc(NS(=O)(=O)c2ccccc2)n1.
What is the InChIKey of 2-(benzenesulfonamido)-N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is UFFKSDSMDGPVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3O3S2/c17-12-7-6-10(8-13(12)18)19-15(22)14-9-25-16(20-14)21-26(23,24)11-4-2-1-3-5-11/h1-9H,(H,19,22)(H,20,21).
What are the key properties of 2-(benzenesulfonamido)-N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide?
2-(benzenesulfonamido)-N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 395.41 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 25405386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).