2-(benzenesulfonamido)-N-[(2,6-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide

C18H15F2N3O3S2 — CID 16944449

IUPAC2-(benzenesulfonamido)-N-[(2,6-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NS(=O)(=O)c2ccccc2)sc1C(=O)NCc1c(F)cccc1F
InChIInChI=1S/C18H15F2N3O3S2/c1-11-16(17(24)21-10-13-14(19)8-5-9-15(13)20)27-18(22-11)23-28(25,26)12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,21,24)(H,22,23)
InChIKeyGCMYITNUPLYPEM-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.46
Rot. Bonds6

About 2-(benzenesulfonamido)-N-[(2,6-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide

2-(benzenesulfonamido)-N-[(2,6-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 16944449) has the molecular formula C18H15F2N3O3S2 and a molecular weight of 423.47 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-[(2,6-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-[(2,6-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID16944449
Molecular FormulaC18H15F2N3O3S2
Molecular Weight423.47 g/mol
Exact Mass423.05
IUPAC Name2-(benzenesulfonamido)-N-[(2,6-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NS(=O)(=O)c2ccccc2)sc1C(=O)NCc1c(F)cccc1F
InChIInChI=1S/C18H15F2N3O3S2/c1-11-16(17(24)21-10-13-14(19)8-5-9-15(13)20)27-18(22-11)23-28(25,26)12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,21,24)(H,22,23)
InChIKeyGCMYITNUPLYPEM-UHFFFAOYSA-N
XLogP3.46
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.46
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]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(benzenesulfonamido)-N-[(2,6-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 16944449) is 2-(benzenesulfonamido)-N-[(2,6-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-[(2,6-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-[(2,6-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(NS(=O)(=O)c2ccccc2)sc1C(=O)NCc1c(F)cccc1F.
What is the InChIKey of 2-(benzenesulfonamido)-N-[(2,6-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is GCMYITNUPLYPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O3S2/c1-11-16(17(24)21-10-13-14(19)8-5-9-15(13)20)27-18(22-11)23-28(25,26)12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 2-(benzenesulfonamido)-N-[(2,6-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
2-(benzenesulfonamido)-N-[(2,6-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 423.47 g/mol, XLogP of 3.46, 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]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16944449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).