5-(4-chlorophenyl)-1H-pyrazole-4-sulfonyl chloride

C9H6Cl2N2O2S — CID 61394881

IUPAC5-(4-chlorophenyl)-1H-pyrazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C9H6Cl2N2O2S/c10-7-3-1-6(2-4-7)9-8(5-12-13-9)16(11,14)15/h1-5H,(H,12,13)
InChIKeyMHPCFVVFUPJAQD-UHFFFAOYSA-N
MW277.13 g/mol
LogP2.66
Rot. Bonds2

About 5-(4-chlorophenyl)-1H-pyrazole-4-sulfonyl chloride

5-(4-chlorophenyl)-1H-pyrazole-4-sulfonyl chloride (PubChem CID 61394881) has the molecular formula C9H6Cl2N2O2S and a molecular weight of 277.13 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1H-pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1H-pyrazole-4-sulfonyl chloride
PubChem CID61394881
Molecular FormulaC9H6Cl2N2O2S
Molecular Weight277.13 g/mol
Exact Mass275.95
IUPAC Name5-(4-chlorophenyl)-1H-pyrazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C9H6Cl2N2O2S/c10-7-3-1-6(2-4-7)9-8(5-12-13-9)16(11,14)15/h1-5H,(H,12,13)
InChIKeyMHPCFVVFUPJAQD-UHFFFAOYSA-N
XLogP2.66
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.13
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1H-pyrazole-4-sulfonyl chloride?
The IUPAC name of 5-(4-chlorophenyl)-1H-pyrazole-4-sulfonyl chloride (CID 61394881) is 5-(4-chlorophenyl)-1H-pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 5-(4-chlorophenyl)-1H-pyrazole-4-sulfonyl chloride?
The canonical SMILES for 5-(4-chlorophenyl)-1H-pyrazole-4-sulfonyl chloride is O=S(=O)(Cl)c1cn[nH]c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-1H-pyrazole-4-sulfonyl chloride?
The InChIKey is MHPCFVVFUPJAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2O2S/c10-7-3-1-6(2-4-7)9-8(5-12-13-9)16(11,14)15/h1-5H,(H,12,13).
What are the key properties of 5-(4-chlorophenyl)-1H-pyrazole-4-sulfonyl chloride?
5-(4-chlorophenyl)-1H-pyrazole-4-sulfonyl chloride has a molecular weight of 277.13 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1H-pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 61394881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).