2-(2-phenylethyl)pyrazole-3-sulfonyl chloride

C11H11ClN2O2S — CID 125424430

IUPAC2-(2-phenylethyl)pyrazole-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccnn1CCc1ccccc1
InChIInChI=1S/C11H11ClN2O2S/c12-17(15,16)11-6-8-13-14(11)9-7-10-4-2-1-3-5-10/h1-6,8H,7,9H2
InChIKeyMHVZATJLMKCQFY-UHFFFAOYSA-N
MW270.74 g/mol
LogP2.05
Rot. Bonds4

About 2-(2-phenylethyl)pyrazole-3-sulfonyl chloride

2-(2-phenylethyl)pyrazole-3-sulfonyl chloride (PubChem CID 125424430) has the molecular formula C11H11ClN2O2S and a molecular weight of 270.74 g/mol. Its IUPAC name is 2-(2-phenylethyl)pyrazole-3-sulfonyl chloride.

Molecular Properties

Compound Name2-(2-phenylethyl)pyrazole-3-sulfonyl chloride
PubChem CID125424430
Molecular FormulaC11H11ClN2O2S
Molecular Weight270.74 g/mol
Exact Mass270.02
IUPAC Name2-(2-phenylethyl)pyrazole-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccnn1CCc1ccccc1
InChIInChI=1S/C11H11ClN2O2S/c12-17(15,16)11-6-8-13-14(11)9-7-10-4-2-1-3-5-10/h1-6,8H,7,9H2
InChIKeyMHVZATJLMKCQFY-UHFFFAOYSA-N
XLogP2.05
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.74
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1-(2-phenylethyl)pyrazole
CID 10419930
N-(4-cyanophenyl)-N-methyl-2-(2-phenylethyl)pyrazole-3-sulfonamide
CID 167866179
1-methyl-4-[[2-(2-phenylethyl)pyrazol-3-yl]sulfonylamino]pyrazole-3-carboxylic acid
CID 167937136
3,5-dimethyl-1-(2-phenylethyl)pyrazole-4-sulfonyl chloride
CID 54929599
1-methyl-5-(2-phenylethyl)pyrrole-2-sulfonyl chloride
CID 82375166
(1R)-1-[2-(2-phenylethyl)pyrazol-3-yl]prop-2-en-1-ol
CID 125425361
1-(3-phenylpropyl)pyrazole-4-sulfonyl chloride
CID 60912373
2-(3-phenylpropyl)pyrazole-3-carboxylic acid
CID 60780145
2-hydroxy-2-phenyl-N-[2-(2-phenylethyl)pyrazol-3-yl]acetamide
CID 111432601
(2R)-2-amino-N-[2-(2-phenylethyl)pyrazol-3-yl]propanamide
CID 119282442
1-benzyl-5-nitropyrazole
CID 15740730
N-[2-(2-phenylethyl)pyrazol-3-yl]-2-prop-2-enylsulfanylacetamide
CID 51103469

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)pyrazole-3-sulfonyl chloride?
The IUPAC name of 2-(2-phenylethyl)pyrazole-3-sulfonyl chloride (CID 125424430) is 2-(2-phenylethyl)pyrazole-3-sulfonyl chloride.
What is the SMILES notation for 2-(2-phenylethyl)pyrazole-3-sulfonyl chloride?
The canonical SMILES for 2-(2-phenylethyl)pyrazole-3-sulfonyl chloride is O=S(=O)(Cl)c1ccnn1CCc1ccccc1.
What is the InChIKey of 2-(2-phenylethyl)pyrazole-3-sulfonyl chloride?
The InChIKey is MHVZATJLMKCQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2S/c12-17(15,16)11-6-8-13-14(11)9-7-10-4-2-1-3-5-10/h1-6,8H,7,9H2.
What are the key properties of 2-(2-phenylethyl)pyrazole-3-sulfonyl chloride?
2-(2-phenylethyl)pyrazole-3-sulfonyl chloride has a molecular weight of 270.74 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)pyrazole-3-sulfonyl chloride is sourced from PubChem (CID 125424430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).