1-benzylsulfonyl-4-chloropyrazole

C10H9ClN2O2S — CID 6466723

IUPAC1-benzylsulfonyl-4-chloropyrazole
SMILESO=S(=O)(Cc1ccccc1)n1cc(Cl)cn1
InChIInChI=1S/C10H9ClN2O2S/c11-10-6-12-13(7-10)16(14,15)8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeySTKQKEYQUWPYJZ-UHFFFAOYSA-N
MW256.71 g/mol
LogP1.91
Rot. Bonds3

About 1-benzylsulfonyl-4-chloropyrazole

1-benzylsulfonyl-4-chloropyrazole (PubChem CID 6466723) has the molecular formula C10H9ClN2O2S and a molecular weight of 256.71 g/mol. Its IUPAC name is 1-benzylsulfonyl-4-chloropyrazole.

Molecular Properties

Compound Name1-benzylsulfonyl-4-chloropyrazole
PubChem CID6466723
Molecular FormulaC10H9ClN2O2S
Molecular Weight256.71 g/mol
Exact Mass256.01
IUPAC Name1-benzylsulfonyl-4-chloropyrazole
SMILESO=S(=O)(Cc1ccccc1)n1cc(Cl)cn1
InChIInChI=1S/C10H9ClN2O2S/c11-10-6-12-13(7-10)16(14,15)8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeySTKQKEYQUWPYJZ-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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4-Methyl-1-(4-methylphenyl)sulfonylpyrazole
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1-[3-(2,4,5-Trifluorophenyl)prop-2-enylsulfonyl]pyrazole
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1-[1-(2,4,5-Trifluorophenyl)prop-2-enylsulfonyl]pyrazole
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1-(Benzenesulfonyl)-4-methylpyrazole
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1-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)methanesulfonamide
CID 54896033
4-Fluoro-1-tosyl-1H-pyrazole
CID 92133379
3,4-Diiodo-1-(4-methylphenyl)sulfonylpyrazole
CID 10254290
1-(benzylsulfonyl)-1H-pyrazole
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1-(Benzenesulfonyl)-4-chloropyrazole
CID 22200756

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-4-chloropyrazole?
The IUPAC name of 1-benzylsulfonyl-4-chloropyrazole (CID 6466723) is 1-benzylsulfonyl-4-chloropyrazole.
What is the SMILES notation for 1-benzylsulfonyl-4-chloropyrazole?
The canonical SMILES for 1-benzylsulfonyl-4-chloropyrazole is O=S(=O)(Cc1ccccc1)n1cc(Cl)cn1.
What is the InChIKey of 1-benzylsulfonyl-4-chloropyrazole?
The InChIKey is STKQKEYQUWPYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2S/c11-10-6-12-13(7-10)16(14,15)8-9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 1-benzylsulfonyl-4-chloropyrazole?
1-benzylsulfonyl-4-chloropyrazole has a molecular weight of 256.71 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-4-chloropyrazole is sourced from PubChem (CID 6466723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).