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

C9H6Cl2F3N5OS — CID 163247524

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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Related Compounds

CID 68747406
CID 68747406
1-methyl-N-[4-(2-methylphenyl)-6-[4-(1-methylpiperidin-3-yl)phenoxy]-5-(1,1,2,2,2-pentafluoroethyl)pyrimidin-2-yl]pyrazole-4-sulfinamide
CID 163247246
4,6-dichloro-N-(1-methylpyrazol-4-yl)sulfanyl-5-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 163247078
ethane;1-methyl-4-(trifluoromethyl)pyrazole
CID 145172818
2-chloro-N-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-4-amine
CID 156636551
3-chloro-N-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzamide
CID 99700724
4-chloro-1-methyl-3-(trifluoromethyl)pyrazole;ethane
CID 177147966
CID 170969259
CID 170969259
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-ethylsulfinylpyrazole
CID 141064724
N-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-1-methylpyrazole-4-sulfonamide
CID 163248040
4,6-dichloro-N-(1-methylpyrazol-4-yl)sulfanyl-5-propan-2-ylpyrimidin-2-amine
CID 167005046
N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine
CID 75431904

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).