1-(4-chlorophenyl)sulfonyl-3-methyl-4-phenylpyrazole

C16H13ClN2O2S — CID 2805335

IUPAC1-(4-chlorophenyl)sulfonyl-3-methyl-4-phenylpyrazole
SMILESCc1nn(S(=O)(=O)c2ccc(Cl)cc2)cc1-c1ccccc1
InChIInChI=1S/C16H13ClN2O2S/c1-12-16(13-5-3-2-4-6-13)11-19(18-12)22(20,21)15-9-7-14(17)8-10-15/h2-11H,1H3
InChIKeyNWQOQISTGZNBBU-UHFFFAOYSA-N
MW332.81 g/mol
LogP3.75
Rot. Bonds3

About 1-(4-chlorophenyl)sulfonyl-3-methyl-4-phenylpyrazole

1-(4-chlorophenyl)sulfonyl-3-methyl-4-phenylpyrazole (PubChem CID 2805335) has the molecular formula C16H13ClN2O2S and a molecular weight of 332.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-3-methyl-4-phenylpyrazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-3-methyl-4-phenylpyrazole
PubChem CID2805335
Molecular FormulaC16H13ClN2O2S
Molecular Weight332.81 g/mol
Exact Mass332.04
IUPAC Name1-(4-chlorophenyl)sulfonyl-3-methyl-4-phenylpyrazole
SMILESCc1nn(S(=O)(=O)c2ccc(Cl)cc2)cc1-c1ccccc1
InChIInChI=1S/C16H13ClN2O2S/c1-12-16(13-5-3-2-4-6-13)11-19(18-12)22(20,21)15-9-7-14(17)8-10-15/h2-11H,1H3
InChIKeyNWQOQISTGZNBBU-UHFFFAOYSA-N
XLogP3.75
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-3-methyl-4-phenylpyrazole?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-3-methyl-4-phenylpyrazole (CID 2805335) is 1-(4-chlorophenyl)sulfonyl-3-methyl-4-phenylpyrazole.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-3-methyl-4-phenylpyrazole?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-3-methyl-4-phenylpyrazole is Cc1nn(S(=O)(=O)c2ccc(Cl)cc2)cc1-c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-3-methyl-4-phenylpyrazole?
The InChIKey is NWQOQISTGZNBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2S/c1-12-16(13-5-3-2-4-6-13)11-19(18-12)22(20,21)15-9-7-14(17)8-10-15/h2-11H,1H3.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-3-methyl-4-phenylpyrazole?
1-(4-chlorophenyl)sulfonyl-3-methyl-4-phenylpyrazole has a molecular weight of 332.81 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-3-methyl-4-phenylpyrazole is sourced from PubChem (CID 2805335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).