4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzenesulfonyl chloride

C11H8ClF3N2O3S — CID 87206399

IUPAC4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzenesulfonyl chloride
SMILESCn1nc(Oc2ccc(S(=O)(=O)Cl)cc2)cc1C(F)(F)F
InChIInChI=1S/C11H8ClF3N2O3S/c1-17-9(11(13,14)15)6-10(16-17)20-7-2-4-8(5-3-7)21(12,18)19/h2-6H,1H3
InChIKeyBLULJJDFLMLXCN-UHFFFAOYSA-N
MW340.71 g/mol
LogP3.16
Rot. Bonds3

About 4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzenesulfonyl chloride

4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzenesulfonyl chloride (PubChem CID 87206399) has the molecular formula C11H8ClF3N2O3S and a molecular weight of 340.71 g/mol. Its IUPAC name is 4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzenesulfonyl chloride.

Molecular Properties

Compound Name4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzenesulfonyl chloride
PubChem CID87206399
Molecular FormulaC11H8ClF3N2O3S
Molecular Weight340.71 g/mol
Exact Mass339.99
IUPAC Name4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzenesulfonyl chloride
SMILESCn1nc(Oc2ccc(S(=O)(=O)Cl)cc2)cc1C(F)(F)F
InChIInChI=1S/C11H8ClF3N2O3S/c1-17-9(11(13,14)15)6-10(16-17)20-7-2-4-8(5-3-7)21(12,18)19/h2-6H,1H3
InChIKeyBLULJJDFLMLXCN-UHFFFAOYSA-N
XLogP3.16
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.71
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzenesulfonyl chloride?
The IUPAC name of 4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzenesulfonyl chloride (CID 87206399) is 4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzenesulfonyl chloride.
What is the SMILES notation for 4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzenesulfonyl chloride?
The canonical SMILES for 4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzenesulfonyl chloride is Cn1nc(Oc2ccc(S(=O)(=O)Cl)cc2)cc1C(F)(F)F.
What is the InChIKey of 4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzenesulfonyl chloride?
The InChIKey is BLULJJDFLMLXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N2O3S/c1-17-9(11(13,14)15)6-10(16-17)20-7-2-4-8(5-3-7)21(12,18)19/h2-6H,1H3.
What are the key properties of 4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzenesulfonyl chloride?
4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzenesulfonyl chloride has a molecular weight of 340.71 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzenesulfonyl chloride is sourced from PubChem (CID 87206399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).