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N-[4,6-dichloro-5-(trifluoromethyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfinamide

C9H6Cl2F3N5OS — CID 163247524

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[4,6-dichloro-5-(trifluoromethyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfinamide
SMILESCn1cc(S(=O)Nc2nc(Cl)c(C(F)(F)F)c(Cl)n2)cn1
InChIInChI=1S/C9H6Cl2F3N5OS/c1-19-3-4(2-15-19)21(20)18-8-16-6(10)5(7(11)17-8)9(12,13)14/h2-3H,1H3,(H,16,17,18)
InChIKeyVKFREWWSRJELDM-UHFFFAOYSA-N
MW360.15 g/mol
LogP2.67
Rot. Bonds3

About N-[4,6-dichloro-5-(trifluoromethyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfinamide

N-[4,6-dichloro-5-(trifluoromethyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfinamide (PubChem CID 163247524) has the molecular formula C9H6Cl2F3N5OS and a molecular weight of 360.15 g/mol. Its IUPAC name is N-[4,6-dichloro-5-(trifluoromethyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfinamide.

Molecular Properties

Compound NameN-[4,6-dichloro-5-(trifluoromethyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfinamide
PubChem CID163247524
Molecular FormulaC9H6Cl2F3N5OS
Molecular Weight360.15 g/mol
Exact Mass358.96
IUPAC NameN-[4,6-dichloro-5-(trifluoromethyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfinamide
SMILESCn1cc(S(=O)Nc2nc(Cl)c(C(F)(F)F)c(Cl)n2)cn1
InChIInChI=1S/C9H6Cl2F3N5OS/c1-19-3-4(2-15-19)21(20)18-8-16-6(10)5(7(11)17-8)9(12,13)14/h2-3H,1H3,(H,16,17,18)
InChIKeyVKFREWWSRJELDM-UHFFFAOYSA-N
XLogP2.67
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.15
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4,6-dichloro-5-(trifluoromethyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfinamide?
The IUPAC name of N-[4,6-dichloro-5-(trifluoromethyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfinamide (CID 163247524) is N-[4,6-dichloro-5-(trifluoromethyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfinamide.
What is the SMILES notation for N-[4,6-dichloro-5-(trifluoromethyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfinamide?
The canonical SMILES for N-[4,6-dichloro-5-(trifluoromethyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfinamide is Cn1cc(S(=O)Nc2nc(Cl)c(C(F)(F)F)c(Cl)n2)cn1.
What is the InChIKey of N-[4,6-dichloro-5-(trifluoromethyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfinamide?
The InChIKey is VKFREWWSRJELDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2F3N5OS/c1-19-3-4(2-15-19)21(20)18-8-16-6(10)5(7(11)17-8)9(12,13)14/h2-3H,1H3,(H,16,17,18).
What are the key properties of N-[4,6-dichloro-5-(trifluoromethyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfinamide?
N-[4,6-dichloro-5-(trifluoromethyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfinamide has a molecular weight of 360.15 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6-dichloro-5-(trifluoromethyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfinamide is sourced from PubChem (CID 163247524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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