N-[3-(difluoromethoxy)phenyl]sulfonyl-5-methyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide

C13H9F5N2O4S2 — CID 166343548

IUPACN-[3-(difluoromethoxy)phenyl]sulfonyl-5-methyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
SMILESCc1sc(C(F)(F)F)nc1C(=O)NS(=O)(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C13H9F5N2O4S2/c1-6-9(19-11(25-6)13(16,17)18)10(21)20-26(22,23)8-4-2-3-7(5-8)24-12(14)15/h2-5,12H,1H3,(H,20,21)
InChIKeyONNLDJNMJUNQDZ-UHFFFAOYSA-N
MW416.35 g/mol
LogP3.19
Rot. Bonds5

About N-[3-(difluoromethoxy)phenyl]sulfonyl-5-methyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide

N-[3-(difluoromethoxy)phenyl]sulfonyl-5-methyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide (PubChem CID 166343548) has the molecular formula C13H9F5N2O4S2 and a molecular weight of 416.35 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)phenyl]sulfonyl-5-methyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)phenyl]sulfonyl-5-methyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
PubChem CID166343548
Molecular FormulaC13H9F5N2O4S2
Molecular Weight416.35 g/mol
Exact Mass415.99
IUPAC NameN-[3-(difluoromethoxy)phenyl]sulfonyl-5-methyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
SMILESCc1sc(C(F)(F)F)nc1C(=O)NS(=O)(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C13H9F5N2O4S2/c1-6-9(19-11(25-6)13(16,17)18)10(21)20-26(22,23)8-4-2-3-7(5-8)24-12(14)15/h2-5,12H,1H3,(H,20,21)
InChIKeyONNLDJNMJUNQDZ-UHFFFAOYSA-N
XLogP3.19
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)phenyl]sulfonyl-5-methyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-(difluoromethoxy)phenyl]sulfonyl-5-methyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide (CID 166343548) is N-[3-(difluoromethoxy)phenyl]sulfonyl-5-methyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-(difluoromethoxy)phenyl]sulfonyl-5-methyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-(difluoromethoxy)phenyl]sulfonyl-5-methyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide is Cc1sc(C(F)(F)F)nc1C(=O)NS(=O)(=O)c1cccc(OC(F)F)c1.
What is the InChIKey of N-[3-(difluoromethoxy)phenyl]sulfonyl-5-methyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ONNLDJNMJUNQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F5N2O4S2/c1-6-9(19-11(25-6)13(16,17)18)10(21)20-26(22,23)8-4-2-3-7(5-8)24-12(14)15/h2-5,12H,1H3,(H,20,21).
What are the key properties of N-[3-(difluoromethoxy)phenyl]sulfonyl-5-methyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
N-[3-(difluoromethoxy)phenyl]sulfonyl-5-methyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 416.35 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)phenyl]sulfonyl-5-methyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 166343548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).