4-chloro-1-cyclopentylpyrazole-5-sulfonyl chloride

C8H10Cl2N2O2S — CID 50896637

IUPAC4-chloro-1-cyclopentylpyrazole-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1c(Cl)cnn1C1CCCC1
InChIInChI=1S/C8H10Cl2N2O2S/c9-7-5-11-12(6-3-1-2-4-6)8(7)15(10,13)14/h5-6H,1-4H2
InChIKeySINDCHQQRDKKGX-UHFFFAOYSA-N
MW269.15 g/mol
LogP2.58
Rot. Bonds2

About 4-chloro-1-cyclopentylpyrazole-5-sulfonyl chloride

4-chloro-1-cyclopentylpyrazole-5-sulfonyl chloride (PubChem CID 50896637) has the molecular formula C8H10Cl2N2O2S and a molecular weight of 269.15 g/mol. Its IUPAC name is 4-chloro-1-cyclopentylpyrazole-5-sulfonyl chloride.

Molecular Properties

Compound Name4-chloro-1-cyclopentylpyrazole-5-sulfonyl chloride
PubChem CID50896637
Molecular FormulaC8H10Cl2N2O2S
Molecular Weight269.15 g/mol
Exact Mass267.98
IUPAC Name4-chloro-1-cyclopentylpyrazole-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1c(Cl)cnn1C1CCCC1
InChIInChI=1S/C8H10Cl2N2O2S/c9-7-5-11-12(6-3-1-2-4-6)8(7)15(10,13)14/h5-6H,1-4H2
InChIKeySINDCHQQRDKKGX-UHFFFAOYSA-N
XLogP2.58
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.15
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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1-cyclobutyl-5-fluoropyrazole-4-sulfonyl chloride
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1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-cyclohexylpiperazine
CID 155950524
4-chloro-2-cyclohexyl-5-sulfanylpyridazin-3-one
CID 22358118
5-(butan-2-yloxymethyl)-1-cyclopentylpyrazole-4-sulfonyl chloride
CID 122171211
1-(5-chloro-1-cycloheptylpyrazol-4-yl)ethanone
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4,5-dibromo-1-cyclopentylpyrazole
CID 115053117
3-tert-butyl-5-chloro-1-cyclopentylpyrazole-4-sulfonyl chloride
CID 82918297
2-(oxan-4-yl)pyrazole-3-sulfonyl chloride
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5-chloro-1-cycloheptyl-3-propan-2-ylpyrazole-4-sulfonyl chloride
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-cyclopentylpyrazole-5-sulfonyl chloride?
The IUPAC name of 4-chloro-1-cyclopentylpyrazole-5-sulfonyl chloride (CID 50896637) is 4-chloro-1-cyclopentylpyrazole-5-sulfonyl chloride.
What is the SMILES notation for 4-chloro-1-cyclopentylpyrazole-5-sulfonyl chloride?
The canonical SMILES for 4-chloro-1-cyclopentylpyrazole-5-sulfonyl chloride is O=S(=O)(Cl)c1c(Cl)cnn1C1CCCC1.
What is the InChIKey of 4-chloro-1-cyclopentylpyrazole-5-sulfonyl chloride?
The InChIKey is SINDCHQQRDKKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2O2S/c9-7-5-11-12(6-3-1-2-4-6)8(7)15(10,13)14/h5-6H,1-4H2.
What are the key properties of 4-chloro-1-cyclopentylpyrazole-5-sulfonyl chloride?
4-chloro-1-cyclopentylpyrazole-5-sulfonyl chloride has a molecular weight of 269.15 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-cyclopentylpyrazole-5-sulfonyl chloride is sourced from PubChem (CID 50896637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).