6-(3,5-dimethylpyrazol-1-yl)sulfonylchromen-2-one

C14H12N2O4S — CID 6484453

IUPAC6-(3,5-dimethylpyrazol-1-yl)sulfonylchromen-2-one
SMILESCc1cc(C)n(S(=O)(=O)c2ccc3oc(=O)ccc3c2)n1
InChIInChI=1S/C14H12N2O4S/c1-9-7-10(2)16(15-9)21(18,19)12-4-5-13-11(8-12)3-6-14(17)20-13/h3-8H,1-2H3
InChIKeySSXYEYCSJSGFED-UHFFFAOYSA-N
MW304.33 g/mol
LogP1.84
Rot. Bonds2

About 6-(3,5-dimethylpyrazol-1-yl)sulfonylchromen-2-one

6-(3,5-dimethylpyrazol-1-yl)sulfonylchromen-2-one (PubChem CID 6484453) has the molecular formula C14H12N2O4S and a molecular weight of 304.33 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)sulfonylchromen-2-one.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)sulfonylchromen-2-one
PubChem CID6484453
Molecular FormulaC14H12N2O4S
Molecular Weight304.33 g/mol
Exact Mass304.05
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)sulfonylchromen-2-one
SMILESCc1cc(C)n(S(=O)(=O)c2ccc3oc(=O)ccc3c2)n1
InChIInChI=1S/C14H12N2O4S/c1-9-7-10(2)16(15-9)21(18,19)12-4-5-13-11(8-12)3-6-14(17)20-13/h3-8H,1-2H3
InChIKeySSXYEYCSJSGFED-UHFFFAOYSA-N
XLogP1.84
TPSA82.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

6-[(3-methyl-1H-pyrazol-1-yl)sulfonyl]-2H-chromen-2-one
CID 6458794
1-(4-Methoxy-3-methyl-benzenesulfonyl)-3-methyl-1H-pyrazole
CID 1085563
1-(2-Ethoxy-5-methylphenyl)sulfonyl-3,5-dimethylpyrazole
CID 850119
N-(2,5-dimethylpyrazol-3-yl)-2-oxochromene-6-sulfonamide
CID 53580604
1-[(4-Methoxy-2,5-dimethylphenyl)sulfonyl]-3,5-dimethylpyrazole
CID 802425
1-(4-Ethoxy-2,3-dimethylphenyl)sulfonyl-3,5-dimethylpyrazole
CID 6471619
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2-oxochromene-6-sulfonamide
CID 55914329
1-[(4-methoxy-3-methylphenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole
CID 847015
1-((4-ethoxy-3-methylphenyl)sulfonyl)-3,5-dimethyl-1H-pyrazole
CID 935385
1-((4-ethoxy-3-methylphenyl)sulfonyl)-3-methyl-1H-pyrazole
CID 2147482
1-{[4-Ethoxy-3-(methylethyl)phenyl]sulfonyl}-3,5-dimethylpyrazole
CID 2238174
1-[(3-ethyl-4-methoxyphenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole
CID 6499744

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)sulfonylchromen-2-one?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)sulfonylchromen-2-one (CID 6484453) is 6-(3,5-dimethylpyrazol-1-yl)sulfonylchromen-2-one.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)sulfonylchromen-2-one?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)sulfonylchromen-2-one is Cc1cc(C)n(S(=O)(=O)c2ccc3oc(=O)ccc3c2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)sulfonylchromen-2-one?
The InChIKey is SSXYEYCSJSGFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4S/c1-9-7-10(2)16(15-9)21(18,19)12-4-5-13-11(8-12)3-6-14(17)20-13/h3-8H,1-2H3.
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)sulfonylchromen-2-one?
6-(3,5-dimethylpyrazol-1-yl)sulfonylchromen-2-one has a molecular weight of 304.33 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)sulfonylchromen-2-one is sourced from PubChem (CID 6484453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).