3-(difluoromethyl)-1-(6-methylpyrimidin-4-yl)pyrazole-5-sulfonamide

C9H9F2N5O2S — CID 55127382

IUPAC3-(difluoromethyl)-1-(6-methylpyrimidin-4-yl)pyrazole-5-sulfonamide
SMILESCc1cc(-n2nc(C(F)F)cc2S(N)(=O)=O)ncn1
InChIInChI=1S/C9H9F2N5O2S/c1-5-2-7(14-4-13-5)16-8(19(12,17)18)3-6(15-16)9(10)11/h2-4,9H,1H3,(H2,12,17,18)
InChIKeySRXOHXMTNBMAGZ-UHFFFAOYSA-N
MW289.27 g/mol
LogP0.56
Rot. Bonds3

About 3-(difluoromethyl)-1-(6-methylpyrimidin-4-yl)pyrazole-5-sulfonamide

3-(difluoromethyl)-1-(6-methylpyrimidin-4-yl)pyrazole-5-sulfonamide (PubChem CID 55127382) has the molecular formula C9H9F2N5O2S and a molecular weight of 289.27 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-(6-methylpyrimidin-4-yl)pyrazole-5-sulfonamide.

Molecular Properties

Compound Name3-(difluoromethyl)-1-(6-methylpyrimidin-4-yl)pyrazole-5-sulfonamide
PubChem CID55127382
Molecular FormulaC9H9F2N5O2S
Molecular Weight289.27 g/mol
Exact Mass289.04
IUPAC Name3-(difluoromethyl)-1-(6-methylpyrimidin-4-yl)pyrazole-5-sulfonamide
SMILESCc1cc(-n2nc(C(F)F)cc2S(N)(=O)=O)ncn1
InChIInChI=1S/C9H9F2N5O2S/c1-5-2-7(14-4-13-5)16-8(19(12,17)18)3-6(15-16)9(10)11/h2-4,9H,1H3,(H2,12,17,18)
InChIKeySRXOHXMTNBMAGZ-UHFFFAOYSA-N
XLogP0.56
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-(6-methylpyrimidin-4-yl)pyrazole-5-sulfonamide?
The IUPAC name of 3-(difluoromethyl)-1-(6-methylpyrimidin-4-yl)pyrazole-5-sulfonamide (CID 55127382) is 3-(difluoromethyl)-1-(6-methylpyrimidin-4-yl)pyrazole-5-sulfonamide.
What is the SMILES notation for 3-(difluoromethyl)-1-(6-methylpyrimidin-4-yl)pyrazole-5-sulfonamide?
The canonical SMILES for 3-(difluoromethyl)-1-(6-methylpyrimidin-4-yl)pyrazole-5-sulfonamide is Cc1cc(-n2nc(C(F)F)cc2S(N)(=O)=O)ncn1.
What is the InChIKey of 3-(difluoromethyl)-1-(6-methylpyrimidin-4-yl)pyrazole-5-sulfonamide?
The InChIKey is SRXOHXMTNBMAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N5O2S/c1-5-2-7(14-4-13-5)16-8(19(12,17)18)3-6(15-16)9(10)11/h2-4,9H,1H3,(H2,12,17,18).
What are the key properties of 3-(difluoromethyl)-1-(6-methylpyrimidin-4-yl)pyrazole-5-sulfonamide?
3-(difluoromethyl)-1-(6-methylpyrimidin-4-yl)pyrazole-5-sulfonamide has a molecular weight of 289.27 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-(6-methylpyrimidin-4-yl)pyrazole-5-sulfonamide is sourced from PubChem (CID 55127382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).