2-methyl-6-pyrazol-1-ylsulfonylbenzonitrile

C11H9N3O2S — CID 16749897

IUPAC2-methyl-6-pyrazol-1-ylsulfonylbenzonitrile
SMILESCc1cccc(S(=O)(=O)n2cccn2)c1C#N
InChIInChI=1S/C11H9N3O2S/c1-9-4-2-5-11(10(9)8-12)17(15,16)14-7-3-6-13-14/h2-7H,1H3
InChIKeyRJXCKBBLMWNMAN-UHFFFAOYSA-N
MW247.28 g/mol
LogP1.30
Rot. Bonds2

About 2-methyl-6-pyrazol-1-ylsulfonylbenzonitrile

2-methyl-6-pyrazol-1-ylsulfonylbenzonitrile (PubChem CID 16749897) has the molecular formula C11H9N3O2S and a molecular weight of 247.28 g/mol. Its IUPAC name is 2-methyl-6-pyrazol-1-ylsulfonylbenzonitrile.

Molecular Properties

Compound Name2-methyl-6-pyrazol-1-ylsulfonylbenzonitrile
PubChem CID16749897
Molecular FormulaC11H9N3O2S
Molecular Weight247.28 g/mol
Exact Mass247.04
IUPAC Name2-methyl-6-pyrazol-1-ylsulfonylbenzonitrile
SMILESCc1cccc(S(=O)(=O)n2cccn2)c1C#N
InChIInChI=1S/C11H9N3O2S/c1-9-4-2-5-11(10(9)8-12)17(15,16)14-7-3-6-13-14/h2-7H,1H3
InChIKeyRJXCKBBLMWNMAN-UHFFFAOYSA-N
XLogP1.30
TPSA75.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Naphthalen-2-ylsulfonylpyrazole
CID 6469143
1-Tosylpyrozole
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1-(2,5-Dimethylphenyl)sulfonyl-3-methylpyrazole
CID 2143106
1-[(3,4-dimethylphenyl)sulfonyl]-1H-pyrazole
CID 6463098
1-((2,5-dimethylphenyl)sulfonyl)-1H-pyrazole
CID 16004554
4-Methyl-1-(4-methylphenyl)sulfonylpyrazole
CID 14361422
5-iodo-1-tosyl-1H-pyrazole
CID 15932794
1-(4-Tert-butylphenyl)sulfonylpyrazole
CID 843460
1-[(4-fluoro-3-methylphenyl)sulfonyl]-1H-pyrazole
CID 6462456
2-methyl-N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 81625865
3-methyl-1-[(2,3,5,6-tetramethylphenyl)sulfonyl]-1H-pyrazole
CID 2143105
1-(2,4-Dimethylphenyl)sulfonylpyrazole
CID 6467388

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-pyrazol-1-ylsulfonylbenzonitrile?
The IUPAC name of 2-methyl-6-pyrazol-1-ylsulfonylbenzonitrile (CID 16749897) is 2-methyl-6-pyrazol-1-ylsulfonylbenzonitrile.
What is the SMILES notation for 2-methyl-6-pyrazol-1-ylsulfonylbenzonitrile?
The canonical SMILES for 2-methyl-6-pyrazol-1-ylsulfonylbenzonitrile is Cc1cccc(S(=O)(=O)n2cccn2)c1C#N.
What is the InChIKey of 2-methyl-6-pyrazol-1-ylsulfonylbenzonitrile?
The InChIKey is RJXCKBBLMWNMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2S/c1-9-4-2-5-11(10(9)8-12)17(15,16)14-7-3-6-13-14/h2-7H,1H3.
What are the key properties of 2-methyl-6-pyrazol-1-ylsulfonylbenzonitrile?
2-methyl-6-pyrazol-1-ylsulfonylbenzonitrile has a molecular weight of 247.28 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-pyrazol-1-ylsulfonylbenzonitrile is sourced from PubChem (CID 16749897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).