1-(2-fluoroethyl)-5-(2-methylpropoxymethyl)pyrazole-4-sulfonyl chloride

C10H16ClFN2O3S — CID 122171192

IUPAC1-(2-fluoroethyl)-5-(2-methylpropoxymethyl)pyrazole-4-sulfonyl chloride
SMILESCC(C)COCc1c(S(=O)(=O)Cl)cnn1CCF
InChIInChI=1S/C10H16ClFN2O3S/c1-8(2)6-17-7-9-10(18(11,15)16)5-13-14(9)4-3-12/h5,8H,3-4,6-7H2,1-2H3
InChIKeyFFSZXFPJBLSQHM-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.95
Rot. Bonds7

About 1-(2-fluoroethyl)-5-(2-methylpropoxymethyl)pyrazole-4-sulfonyl chloride

1-(2-fluoroethyl)-5-(2-methylpropoxymethyl)pyrazole-4-sulfonyl chloride (PubChem CID 122171192) has the molecular formula C10H16ClFN2O3S and a molecular weight of 298.77 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-5-(2-methylpropoxymethyl)pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-(2-fluoroethyl)-5-(2-methylpropoxymethyl)pyrazole-4-sulfonyl chloride
PubChem CID122171192
Molecular FormulaC10H16ClFN2O3S
Molecular Weight298.77 g/mol
Exact Mass298.06
IUPAC Name1-(2-fluoroethyl)-5-(2-methylpropoxymethyl)pyrazole-4-sulfonyl chloride
SMILESCC(C)COCc1c(S(=O)(=O)Cl)cnn1CCF
InChIInChI=1S/C10H16ClFN2O3S/c1-8(2)6-17-7-9-10(18(11,15)16)5-13-14(9)4-3-12/h5,8H,3-4,6-7H2,1-2H3
InChIKeyFFSZXFPJBLSQHM-UHFFFAOYSA-N
XLogP1.95
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(butoxymethyl)-1-(2-methylpropyl)pyrazole-4-sulfonyl chloride
CID 122171182
5-(butan-2-yloxymethyl)-1-(3,3,3-trifluoropropyl)pyrazole-4-sulfonyl chloride
CID 122171213
1-butan-2-yl-5-(ethoxymethyl)pyrazole-4-sulfonyl chloride
CID 122171146
1,5-diethylpyrazole-4-sulfonyl chloride
CID 45156551
1-butyl-5-methylpyrazole-4-sulfonyl chloride
CID 19620104
5-(butan-2-yloxymethyl)-1-cyclopentylpyrazole-4-sulfonyl chloride
CID 122171211
3,5-difluoro-2-(2-methylpropoxy)benzenesulfonyl chloride
CID 82915058
1-butyl-3-(2,2-difluoroethoxymethyl)pyrazole-4-sulfonyl chloride
CID 122171803
4,5-dibromo-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one
CID 106455791
4-bromo-1-butan-2-yl-5-(2-methylpropoxymethyl)pyrazole
CID 122171107
1-methyl-5-(2-methylpropoxymethyl)pyrazole
CID 122170922
2,5-dimethyl-4-[2-(2-methylpropoxy)ethoxy]benzenesulfonyl chloride
CID 106451024

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-5-(2-methylpropoxymethyl)pyrazole-4-sulfonyl chloride?
The IUPAC name of 1-(2-fluoroethyl)-5-(2-methylpropoxymethyl)pyrazole-4-sulfonyl chloride (CID 122171192) is 1-(2-fluoroethyl)-5-(2-methylpropoxymethyl)pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 1-(2-fluoroethyl)-5-(2-methylpropoxymethyl)pyrazole-4-sulfonyl chloride?
The canonical SMILES for 1-(2-fluoroethyl)-5-(2-methylpropoxymethyl)pyrazole-4-sulfonyl chloride is CC(C)COCc1c(S(=O)(=O)Cl)cnn1CCF.
What is the InChIKey of 1-(2-fluoroethyl)-5-(2-methylpropoxymethyl)pyrazole-4-sulfonyl chloride?
The InChIKey is FFSZXFPJBLSQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClFN2O3S/c1-8(2)6-17-7-9-10(18(11,15)16)5-13-14(9)4-3-12/h5,8H,3-4,6-7H2,1-2H3.
What are the key properties of 1-(2-fluoroethyl)-5-(2-methylpropoxymethyl)pyrazole-4-sulfonyl chloride?
1-(2-fluoroethyl)-5-(2-methylpropoxymethyl)pyrazole-4-sulfonyl chloride has a molecular weight of 298.77 g/mol, XLogP of 1.95, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-5-(2-methylpropoxymethyl)pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 122171192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).