1-butyl-3-(2,2-difluoroethoxymethyl)pyrazole-4-sulfonyl chloride

C10H15ClF2N2O3S — CID 122171803

IUPAC1-butyl-3-(2,2-difluoroethoxymethyl)pyrazole-4-sulfonyl chloride
SMILESCCCCn1cc(S(=O)(=O)Cl)c(COCC(F)F)n1
InChIInChI=1S/C10H15ClF2N2O3S/c1-2-3-4-15-5-9(19(11,16)17)8(14-15)6-18-7-10(12)13/h5,10H,2-4,6-7H2,1H3
InChIKeyVUKXNMARKCPULL-UHFFFAOYSA-N
MW316.76 g/mol
LogP2.39
Rot. Bonds8

About 1-butyl-3-(2,2-difluoroethoxymethyl)pyrazole-4-sulfonyl chloride

1-butyl-3-(2,2-difluoroethoxymethyl)pyrazole-4-sulfonyl chloride (PubChem CID 122171803) has the molecular formula C10H15ClF2N2O3S and a molecular weight of 316.76 g/mol. Its IUPAC name is 1-butyl-3-(2,2-difluoroethoxymethyl)pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-butyl-3-(2,2-difluoroethoxymethyl)pyrazole-4-sulfonyl chloride
PubChem CID122171803
Molecular FormulaC10H15ClF2N2O3S
Molecular Weight316.76 g/mol
Exact Mass316.05
IUPAC Name1-butyl-3-(2,2-difluoroethoxymethyl)pyrazole-4-sulfonyl chloride
SMILESCCCCn1cc(S(=O)(=O)Cl)c(COCC(F)F)n1
InChIInChI=1S/C10H15ClF2N2O3S/c1-2-3-4-15-5-9(19(11,16)17)8(14-15)6-18-7-10(12)13/h5,10H,2-4,6-7H2,1H3
InChIKeyVUKXNMARKCPULL-UHFFFAOYSA-N
XLogP2.39
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.76
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-butyl-3-(2,2-difluoroethoxymethyl)pyrazole-4-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(butoxymethyl)-1-(2-methylpropyl)pyrazole-4-sulfonyl chloride
CID 122170414
1-butyl-4-iodo-3-(2-methylpropoxymethyl)pyrazole
CID 122170771
1-(difluoromethyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride
CID 122170362
4-chloro-3-(2,2-difluoroethoxymethyl)-1-(difluoromethyl)pyrazole
CID 122171826
1-(2,2-difluoroethyl)-3-ethoxypyrazole-4-sulfonyl chloride
CID 125482154
4-bromo-1-butyl-3-(ethoxymethyl)pyrazole
CID 122170633
4-bromo-3-(butoxymethyl)-1-butylpyrazole
CID 122170669
3-(2,2-difluoroethoxymethyl)-1-(2,2-difluoroethyl)-4-iodopyrazole
CID 122171854
4-bromo-3-(butoxymethyl)-1-propylpyrazole
CID 122170666
3-(2,2-difluoroethoxymethyl)-4-iodo-1-propan-2-ylpyrazole
CID 122171847
1-butyl-5-methylpyrazole-4-sulfonyl chloride
CID 19620104
4-iodo-3-(2-methylpropoxymethyl)-1-(3,3,3-trifluoropropyl)pyrazole
CID 122170777

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(2,2-difluoroethoxymethyl)pyrazole-4-sulfonyl chloride?
The IUPAC name of 1-butyl-3-(2,2-difluoroethoxymethyl)pyrazole-4-sulfonyl chloride (CID 122171803) is 1-butyl-3-(2,2-difluoroethoxymethyl)pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 1-butyl-3-(2,2-difluoroethoxymethyl)pyrazole-4-sulfonyl chloride?
The canonical SMILES for 1-butyl-3-(2,2-difluoroethoxymethyl)pyrazole-4-sulfonyl chloride is CCCCn1cc(S(=O)(=O)Cl)c(COCC(F)F)n1.
What is the InChIKey of 1-butyl-3-(2,2-difluoroethoxymethyl)pyrazole-4-sulfonyl chloride?
The InChIKey is VUKXNMARKCPULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClF2N2O3S/c1-2-3-4-15-5-9(19(11,16)17)8(14-15)6-18-7-10(12)13/h5,10H,2-4,6-7H2,1H3.
What are the key properties of 1-butyl-3-(2,2-difluoroethoxymethyl)pyrazole-4-sulfonyl chloride?
1-butyl-3-(2,2-difluoroethoxymethyl)pyrazole-4-sulfonyl chloride has a molecular weight of 316.76 g/mol, XLogP of 2.39, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(2,2-difluoroethoxymethyl)pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 122171803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).