4-(benzenesulfonyl)-5-methylsulfanyl-1H-pyrazole

C10H10N2O2S2 — CID 154446756

IUPAC4-(benzenesulfonyl)-5-methylsulfanyl-1H-pyrazole
SMILESCSc1[nH]ncc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H10N2O2S2/c1-15-10-9(7-11-12-10)16(13,14)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)
InChIKeyFBNQOAAPMYDGGR-UHFFFAOYSA-N
MW254.34 g/mol
LogP1.96
Rot. Bonds3

About 4-(benzenesulfonyl)-5-methylsulfanyl-1H-pyrazole

4-(benzenesulfonyl)-5-methylsulfanyl-1H-pyrazole (PubChem CID 154446756) has the molecular formula C10H10N2O2S2 and a molecular weight of 254.34 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-5-methylsulfanyl-1H-pyrazole.

Molecular Properties

Compound Name4-(benzenesulfonyl)-5-methylsulfanyl-1H-pyrazole
PubChem CID154446756
Molecular FormulaC10H10N2O2S2
Molecular Weight254.34 g/mol
Exact Mass254.02
IUPAC Name4-(benzenesulfonyl)-5-methylsulfanyl-1H-pyrazole
SMILESCSc1[nH]ncc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H10N2O2S2/c1-15-10-9(7-11-12-10)16(13,14)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)
InChIKeyFBNQOAAPMYDGGR-UHFFFAOYSA-N
XLogP1.96
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(benzenesulfonyl)-2-[2-(benzenesulfonyl)phenyl]benzene
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1-(benzenesulfonyl)-2-(4-methylphenyl)sulfonylbenzene
CID 176904491
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5-amino-N-phenyl-1H-pyrazole-4-sulfonamide
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1-(benzenesulfonyl)-4-(2-methylsulfanylpropan-2-yl)benzene
CID 5086418
N-(1H-indazol-7-yl)benzenesulfonamide
CID 24653975
5-(benzenesulfonyl)-4-methylsulfanyl-2-phenyl-1H-imidazole
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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-5-methylsulfanyl-1H-pyrazole?
The IUPAC name of 4-(benzenesulfonyl)-5-methylsulfanyl-1H-pyrazole (CID 154446756) is 4-(benzenesulfonyl)-5-methylsulfanyl-1H-pyrazole.
What is the SMILES notation for 4-(benzenesulfonyl)-5-methylsulfanyl-1H-pyrazole?
The canonical SMILES for 4-(benzenesulfonyl)-5-methylsulfanyl-1H-pyrazole is CSc1[nH]ncc1S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-(benzenesulfonyl)-5-methylsulfanyl-1H-pyrazole?
The InChIKey is FBNQOAAPMYDGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S2/c1-15-10-9(7-11-12-10)16(13,14)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12).
What are the key properties of 4-(benzenesulfonyl)-5-methylsulfanyl-1H-pyrazole?
4-(benzenesulfonyl)-5-methylsulfanyl-1H-pyrazole has a molecular weight of 254.34 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-5-methylsulfanyl-1H-pyrazole is sourced from PubChem (CID 154446756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).