3-phenyl-1H-pyrazole-5-sulfonyl chloride

C9H7ClN2O2S — CID 99110122

IUPAC3-phenyl-1H-pyrazole-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C9H7ClN2O2S/c10-15(13,14)9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H,(H,11,12)
InChIKeyIBHNCBUMLPNXQE-UHFFFAOYSA-N
MW242.69 g/mol
LogP2.00
Rot. Bonds2

About 3-phenyl-1H-pyrazole-5-sulfonyl chloride

3-phenyl-1H-pyrazole-5-sulfonyl chloride (PubChem CID 99110122) has the molecular formula C9H7ClN2O2S and a molecular weight of 242.69 g/mol. Its IUPAC name is 3-phenyl-1H-pyrazole-5-sulfonyl chloride.

Molecular Properties

Compound Name3-phenyl-1H-pyrazole-5-sulfonyl chloride
PubChem CID99110122
Molecular FormulaC9H7ClN2O2S
Molecular Weight242.69 g/mol
Exact Mass241.99
IUPAC Name3-phenyl-1H-pyrazole-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C9H7ClN2O2S/c10-15(13,14)9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H,(H,11,12)
InChIKeyIBHNCBUMLPNXQE-UHFFFAOYSA-N
XLogP2.00
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.69
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-N-(3-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 866901
5-(methylsulfonyl)-3-phenyl-1H-pyrazole-4-carbonitrile
CID 2819089
N-(3-ethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride
CID 6602881
N-(3-ethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 3237078
N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 4151083
Pyrazole, 3-methyl-5-phenyl-, hydrochloride
CID 88676
3,5-dimethyl-4-[2-(4-methylsulfonylphenyl)ethyl]-1H-pyrazole
CID 70753911
N-(3,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 3291773
3,5-dimethyl-N-[2-(3-methylphenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 4050168
3,5-dimethyl-N-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 4150111
N-benzyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 4250803
N-(2,3-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 5047360

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1H-pyrazole-5-sulfonyl chloride?
The IUPAC name of 3-phenyl-1H-pyrazole-5-sulfonyl chloride (CID 99110122) is 3-phenyl-1H-pyrazole-5-sulfonyl chloride.
What is the SMILES notation for 3-phenyl-1H-pyrazole-5-sulfonyl chloride?
The canonical SMILES for 3-phenyl-1H-pyrazole-5-sulfonyl chloride is O=S(=O)(Cl)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of 3-phenyl-1H-pyrazole-5-sulfonyl chloride?
The InChIKey is IBHNCBUMLPNXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2S/c10-15(13,14)9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H,(H,11,12).
What are the key properties of 3-phenyl-1H-pyrazole-5-sulfonyl chloride?
3-phenyl-1H-pyrazole-5-sulfonyl chloride has a molecular weight of 242.69 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1H-pyrazole-5-sulfonyl chloride is sourced from PubChem (CID 99110122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).