2-(benzenesulfonamido)-N-[(2,6-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide

C17H13F2N3O3S2 — CID 25405416

IUPAC2-(benzenesulfonamido)-N-[(2,6-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1c(F)cccc1F)c1csc(NS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C17H13F2N3O3S2/c18-13-7-4-8-14(19)12(13)9-20-16(23)15-10-26-17(21-15)22-27(24,25)11-5-2-1-3-6-11/h1-8,10H,9H2,(H,20,23)(H,21,22)
InChIKeyWHSJIEAJDRIMEA-UHFFFAOYSA-N
MW409.44 g/mol
LogP3.15
Rot. Bonds6

About 2-(benzenesulfonamido)-N-[(2,6-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide

2-(benzenesulfonamido)-N-[(2,6-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 25405416) has the molecular formula C17H13F2N3O3S2 and a molecular weight of 409.44 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-[(2,6-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-[(2,6-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID25405416
Molecular FormulaC17H13F2N3O3S2
Molecular Weight409.44 g/mol
Exact Mass409.04
IUPAC Name2-(benzenesulfonamido)-N-[(2,6-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1c(F)cccc1F)c1csc(NS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C17H13F2N3O3S2/c18-13-7-4-8-14(19)12(13)9-20-16(23)15-10-26-17(21-15)22-27(24,25)11-5-2-1-3-6-11/h1-8,10H,9H2,(H,20,23)(H,21,22)
InChIKeyWHSJIEAJDRIMEA-UHFFFAOYSA-N
XLogP3.15
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-[(2,6-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(benzenesulfonamido)-N-[(2,6-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide (CID 25405416) is 2-(benzenesulfonamido)-N-[(2,6-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-[(2,6-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-[(2,6-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide is O=C(NCc1c(F)cccc1F)c1csc(NS(=O)(=O)c2ccccc2)n1.
What is the InChIKey of 2-(benzenesulfonamido)-N-[(2,6-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is WHSJIEAJDRIMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O3S2/c18-13-7-4-8-14(19)12(13)9-20-16(23)15-10-26-17(21-15)22-27(24,25)11-5-2-1-3-6-11/h1-8,10H,9H2,(H,20,23)(H,21,22).
What are the key properties of 2-(benzenesulfonamido)-N-[(2,6-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
2-(benzenesulfonamido)-N-[(2,6-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 409.44 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-[(2,6-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 25405416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).