1-(benzenesulfonyl)-4-chloropyrazole

C9H7ClN2O2S — CID 22200756

IUPAC1-(benzenesulfonyl)-4-chloropyrazole
SMILESO=S(=O)(c1ccccc1)n1cc(Cl)cn1
InChIInChI=1S/C9H7ClN2O2S/c10-8-6-11-12(7-8)15(13,14)9-4-2-1-3-5-9/h1-7H
InChIKeyQXXPZORIZYUMHI-UHFFFAOYSA-N
MW242.69 g/mol
LogP1.77
Rot. Bonds2

About 1-(benzenesulfonyl)-4-chloropyrazole

1-(benzenesulfonyl)-4-chloropyrazole (PubChem CID 22200756) has the molecular formula C9H7ClN2O2S and a molecular weight of 242.69 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-chloropyrazole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-chloropyrazole
PubChem CID22200756
Molecular FormulaC9H7ClN2O2S
Molecular Weight242.69 g/mol
Exact Mass241.99
IUPAC Name1-(benzenesulfonyl)-4-chloropyrazole
SMILESO=S(=O)(c1ccccc1)n1cc(Cl)cn1
InChIInChI=1S/C9H7ClN2O2S/c10-8-6-11-12(7-8)15(13,14)9-4-2-1-3-5-9/h1-7H
InChIKeyQXXPZORIZYUMHI-UHFFFAOYSA-N
XLogP1.77
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.69
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-chloropyrazole?
The IUPAC name of 1-(benzenesulfonyl)-4-chloropyrazole (CID 22200756) is 1-(benzenesulfonyl)-4-chloropyrazole.
What is the SMILES notation for 1-(benzenesulfonyl)-4-chloropyrazole?
The canonical SMILES for 1-(benzenesulfonyl)-4-chloropyrazole is O=S(=O)(c1ccccc1)n1cc(Cl)cn1.
What is the InChIKey of 1-(benzenesulfonyl)-4-chloropyrazole?
The InChIKey is QXXPZORIZYUMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2S/c10-8-6-11-12(7-8)15(13,14)9-4-2-1-3-5-9/h1-7H.
What are the key properties of 1-(benzenesulfonyl)-4-chloropyrazole?
1-(benzenesulfonyl)-4-chloropyrazole has a molecular weight of 242.69 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-chloropyrazole is sourced from PubChem (CID 22200756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).