(2-chlorophenyl) 3-(furan-2-yl)-5-methylpyrazole-1-sulfonate

C14H11ClN2O4S — CID 164610449

IUPAC(2-chlorophenyl) 3-(furan-2-yl)-5-methylpyrazole-1-sulfonate
SMILESCc1cc(-c2ccco2)nn1S(=O)(=O)Oc1ccccc1Cl
InChIInChI=1S/C14H11ClN2O4S/c1-10-9-12(14-7-4-8-20-14)16-17(10)22(18,19)21-13-6-3-2-5-11(13)15/h2-9H,1H3
InChIKeyGPGDAVSCCABBPT-UHFFFAOYSA-N
MW338.77 g/mol
LogP3.28
Rot. Bonds4

About (2-chlorophenyl) 3-(furan-2-yl)-5-methylpyrazole-1-sulfonate

(2-chlorophenyl) 3-(furan-2-yl)-5-methylpyrazole-1-sulfonate (PubChem CID 164610449) has the molecular formula C14H11ClN2O4S and a molecular weight of 338.77 g/mol. Its IUPAC name is (2-chlorophenyl) 3-(furan-2-yl)-5-methylpyrazole-1-sulfonate.

Molecular Properties

Compound Name(2-chlorophenyl) 3-(furan-2-yl)-5-methylpyrazole-1-sulfonate
PubChem CID164610449
Molecular FormulaC14H11ClN2O4S
Molecular Weight338.77 g/mol
Exact Mass338.01
IUPAC Name(2-chlorophenyl) 3-(furan-2-yl)-5-methylpyrazole-1-sulfonate
SMILESCc1cc(-c2ccco2)nn1S(=O)(=O)Oc1ccccc1Cl
InChIInChI=1S/C14H11ClN2O4S/c1-10-9-12(14-7-4-8-20-14)16-17(10)22(18,19)21-13-6-3-2-5-11(13)15/h2-9H,1H3
InChIKeyGPGDAVSCCABBPT-UHFFFAOYSA-N
XLogP3.28
TPSA74.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.77
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Phenyl 3-(furan-2-yl)-5-methylpyrazole-1-sulfonate
CID 164616544
3-Chloro-6-(2-furanyl)pyridazine
CID 23467580
N-[5-(5-chlorofuran-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 67647303
1-(2-Chlorophenyl)-5-(furan-2-yl)-3-methylpyrazole
CID 58202364
5-(Furan-2-yl)-1-hydroxy-3-methylpyrazole
CID 69548927
5-(Furan-2-yl)-3-methylpyrazol-1-amine
CID 89792098
4-chloro-3-(furan-2-yl)-5-methyl-1H-pyrazole
CID 117670167
1-(4-Chlorophenyl)-5-(furan-2-yl)-3-methylpyrazole
CID 126681545
4-Chloro-6-(furan-2-yl)-3-methoxypyridazine
CID 117106449
4-Chloro-3-methoxy-6-(5-methylfuran-2-yl)pyridazine
CID 117106450
3-Chloro-6-(furan-2-yl)pyridazin-4-amine
CID 117127102
5-Chloro-3-(2-furyl)-1-methyl-1H-pyrazole
CID 129919198

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl) 3-(furan-2-yl)-5-methylpyrazole-1-sulfonate?
The IUPAC name of (2-chlorophenyl) 3-(furan-2-yl)-5-methylpyrazole-1-sulfonate (CID 164610449) is (2-chlorophenyl) 3-(furan-2-yl)-5-methylpyrazole-1-sulfonate.
What is the SMILES notation for (2-chlorophenyl) 3-(furan-2-yl)-5-methylpyrazole-1-sulfonate?
The canonical SMILES for (2-chlorophenyl) 3-(furan-2-yl)-5-methylpyrazole-1-sulfonate is Cc1cc(-c2ccco2)nn1S(=O)(=O)Oc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl) 3-(furan-2-yl)-5-methylpyrazole-1-sulfonate?
The InChIKey is GPGDAVSCCABBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O4S/c1-10-9-12(14-7-4-8-20-14)16-17(10)22(18,19)21-13-6-3-2-5-11(13)15/h2-9H,1H3.
What are the key properties of (2-chlorophenyl) 3-(furan-2-yl)-5-methylpyrazole-1-sulfonate?
(2-chlorophenyl) 3-(furan-2-yl)-5-methylpyrazole-1-sulfonate has a molecular weight of 338.77 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl) 3-(furan-2-yl)-5-methylpyrazole-1-sulfonate is sourced from PubChem (CID 164610449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).