N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide

C12H9ClF3N3O4S — CID 167891939

IUPACN-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(CC(=O)NS(=O)(=O)c2ncc(C(F)(F)F)cc2Cl)no1
InChIInChI=1S/C12H9ClF3N3O4S/c1-6-2-8(18-23-6)4-10(20)19-24(21,22)11-9(13)3-7(5-17-11)12(14,15)16/h2-3,5H,4H2,1H3,(H,19,20)
InChIKeyHGKFMPPUDVJAGE-UHFFFAOYSA-N
MW383.74 g/mol
LogP2.10
Rot. Bonds4

About N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide

N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 167891939) has the molecular formula C12H9ClF3N3O4S and a molecular weight of 383.74 g/mol. Its IUPAC name is N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID167891939
Molecular FormulaC12H9ClF3N3O4S
Molecular Weight383.74 g/mol
Exact Mass383.00
IUPAC NameN-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(CC(=O)NS(=O)(=O)c2ncc(C(F)(F)F)cc2Cl)no1
InChIInChI=1S/C12H9ClF3N3O4S/c1-6-2-8(18-23-6)4-10(20)19-24(21,22)11-9(13)3-7(5-17-11)12(14,15)16/h2-3,5H,4H2,1H3,(H,19,20)
InChIKeyHGKFMPPUDVJAGE-UHFFFAOYSA-N
XLogP2.10
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.74
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 167891939) is N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(CC(=O)NS(=O)(=O)c2ncc(C(F)(F)F)cc2Cl)no1.
What is the InChIKey of N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is HGKFMPPUDVJAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3N3O4S/c1-6-2-8(18-23-6)4-10(20)19-24(21,22)11-9(13)3-7(5-17-11)12(14,15)16/h2-3,5H,4H2,1H3,(H,19,20).
What are the key properties of N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide?
N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 383.74 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 167891939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).