1-benzylpyrazole-4-sulfonyl chloride

C10H9ClN2O2S — CID 43531756

IUPAC1-benzylpyrazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C10H9ClN2O2S/c11-16(14,15)10-6-12-13(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7H2
InChIKeyHGMRBJPAOYCPEM-UHFFFAOYSA-N
MW256.71 g/mol
LogP1.86
Rot. Bonds3

About 1-benzylpyrazole-4-sulfonyl chloride

1-benzylpyrazole-4-sulfonyl chloride (PubChem CID 43531756) has the molecular formula C10H9ClN2O2S and a molecular weight of 256.71 g/mol. Its IUPAC name is 1-benzylpyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-benzylpyrazole-4-sulfonyl chloride
PubChem CID43531756
Molecular FormulaC10H9ClN2O2S
Molecular Weight256.71 g/mol
Exact Mass256.01
IUPAC Name1-benzylpyrazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C10H9ClN2O2S/c11-16(14,15)10-6-12-13(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7H2
InChIKeyHGMRBJPAOYCPEM-UHFFFAOYSA-N
XLogP1.86
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzylpyrazole-4-sulfonyl chloride?
The IUPAC name of 1-benzylpyrazole-4-sulfonyl chloride (CID 43531756) is 1-benzylpyrazole-4-sulfonyl chloride.
What is the SMILES notation for 1-benzylpyrazole-4-sulfonyl chloride?
The canonical SMILES for 1-benzylpyrazole-4-sulfonyl chloride is O=S(=O)(Cl)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-benzylpyrazole-4-sulfonyl chloride?
The InChIKey is HGMRBJPAOYCPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2S/c11-16(14,15)10-6-12-13(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7H2.
What are the key properties of 1-benzylpyrazole-4-sulfonyl chloride?
1-benzylpyrazole-4-sulfonyl chloride has a molecular weight of 256.71 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylpyrazole-4-sulfonyl chloride is sourced from PubChem (CID 43531756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).