N-(4,6-dichloro-5-fluoropyrimidin-2-yl)-1-methylpyrazole-4-sulfonamide

C8H6Cl2FN5O2S — CID 163246911

IUPACN-(4,6-dichloro-5-fluoropyrimidin-2-yl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2nc(Cl)c(F)c(Cl)n2)cn1
InChIInChI=1S/C8H6Cl2FN5O2S/c1-16-3-4(2-12-16)19(17,18)15-8-13-6(9)5(11)7(10)14-8/h2-3H,1H3,(H,13,14,15)
InChIKeyJKCYKPKKJHRPDM-UHFFFAOYSA-N
MW326.14 g/mol
LogP1.46
Rot. Bonds3

About N-(4,6-dichloro-5-fluoropyrimidin-2-yl)-1-methylpyrazole-4-sulfonamide

N-(4,6-dichloro-5-fluoropyrimidin-2-yl)-1-methylpyrazole-4-sulfonamide (PubChem CID 163246911) has the molecular formula C8H6Cl2FN5O2S and a molecular weight of 326.14 g/mol. Its IUPAC name is N-(4,6-dichloro-5-fluoropyrimidin-2-yl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4,6-dichloro-5-fluoropyrimidin-2-yl)-1-methylpyrazole-4-sulfonamide
PubChem CID163246911
Molecular FormulaC8H6Cl2FN5O2S
Molecular Weight326.14 g/mol
Exact Mass324.96
IUPAC NameN-(4,6-dichloro-5-fluoropyrimidin-2-yl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2nc(Cl)c(F)c(Cl)n2)cn1
InChIInChI=1S/C8H6Cl2FN5O2S/c1-16-3-4(2-12-16)19(17,18)15-8-13-6(9)5(11)7(10)14-8/h2-3H,1H3,(H,13,14,15)
InChIKeyJKCYKPKKJHRPDM-UHFFFAOYSA-N
XLogP1.46
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.14
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dichloro-5-fluoropyrimidin-2-yl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-(4,6-dichloro-5-fluoropyrimidin-2-yl)-1-methylpyrazole-4-sulfonamide (CID 163246911) is N-(4,6-dichloro-5-fluoropyrimidin-2-yl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(4,6-dichloro-5-fluoropyrimidin-2-yl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-(4,6-dichloro-5-fluoropyrimidin-2-yl)-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)Nc2nc(Cl)c(F)c(Cl)n2)cn1.
What is the InChIKey of N-(4,6-dichloro-5-fluoropyrimidin-2-yl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is JKCYKPKKJHRPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2FN5O2S/c1-16-3-4(2-12-16)19(17,18)15-8-13-6(9)5(11)7(10)14-8/h2-3H,1H3,(H,13,14,15).
What are the key properties of N-(4,6-dichloro-5-fluoropyrimidin-2-yl)-1-methylpyrazole-4-sulfonamide?
N-(4,6-dichloro-5-fluoropyrimidin-2-yl)-1-methylpyrazole-4-sulfonamide has a molecular weight of 326.14 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dichloro-5-fluoropyrimidin-2-yl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 163246911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).