1-naphthalen-2-ylsulfonylpyrazole

C13H10N2O2S — CID 6469143

IUPAC1-naphthalen-2-ylsulfonylpyrazole
SMILESO=S(=O)(c1ccc2ccccc2c1)n1cccn1
InChIInChI=1S/C13H10N2O2S/c16-18(17,15-9-3-8-14-15)13-7-6-11-4-1-2-5-12(11)10-13/h1-10H
InChIKeyUCLRWAJGQBKECA-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.27
Rot. Bonds2

About 1-naphthalen-2-ylsulfonylpyrazole

1-naphthalen-2-ylsulfonylpyrazole (PubChem CID 6469143) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is 1-naphthalen-2-ylsulfonylpyrazole.

Molecular Properties

Compound Name1-naphthalen-2-ylsulfonylpyrazole
PubChem CID6469143
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name1-naphthalen-2-ylsulfonylpyrazole
SMILESO=S(=O)(c1ccc2ccccc2c1)n1cccn1
InChIInChI=1S/C13H10N2O2S/c16-18(17,15-9-3-8-14-15)13-7-6-11-4-1-2-5-12(11)10-13/h1-10H
InChIKeyUCLRWAJGQBKECA-UHFFFAOYSA-N
XLogP2.27
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-Dimethyl-1-(naphthalene-2-sulfonyl)-1H-pyrazole
CID 702520
1-Tosylpyrozole
CID 320750
1-[(3,4-dimethylphenyl)sulfonyl]-1H-pyrazole
CID 6463098
1-((2,5-dimethylphenyl)sulfonyl)-1H-pyrazole
CID 16004554
N-tosyl-4-phenylpyrazole
CID 11254999
4-Methyl-1-(4-methylphenyl)sulfonylpyrazole
CID 14361422
5-iodo-1-tosyl-1H-pyrazole
CID 15932794
2-(3-phenylphenyl)-N-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide
CID 67648877
3-(difluoromethyl)-2-(3-phenylphenyl)-N-pyrazol-1-ylbenzenesulfonamide
CID 67662203
1-(4-Tert-butylphenyl)sulfonylpyrazole
CID 843460
1-(4-Methylphenyl)sulfonyl-4-(3-phenylpropyl)pyrazole
CID 162401921
1-[(4-fluoro-3-methylphenyl)sulfonyl]-1H-pyrazole
CID 6462456

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-ylsulfonylpyrazole?
The IUPAC name of 1-naphthalen-2-ylsulfonylpyrazole (CID 6469143) is 1-naphthalen-2-ylsulfonylpyrazole.
What is the SMILES notation for 1-naphthalen-2-ylsulfonylpyrazole?
The canonical SMILES for 1-naphthalen-2-ylsulfonylpyrazole is O=S(=O)(c1ccc2ccccc2c1)n1cccn1.
What is the InChIKey of 1-naphthalen-2-ylsulfonylpyrazole?
The InChIKey is UCLRWAJGQBKECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c16-18(17,15-9-3-8-14-15)13-7-6-11-4-1-2-5-12(11)10-13/h1-10H.
What are the key properties of 1-naphthalen-2-ylsulfonylpyrazole?
1-naphthalen-2-ylsulfonylpyrazole has a molecular weight of 258.30 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-ylsulfonylpyrazole is sourced from PubChem (CID 6469143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).