4-(4-chlorophenyl)-1-(3-fluoro-4-methylphenyl)sulfonylpyrazol-3-amine

C16H13ClFN3O2S — CID 1265059

IUPAC4-(4-chlorophenyl)-1-(3-fluoro-4-methylphenyl)sulfonylpyrazol-3-amine
SMILESCc1ccc(S(=O)(=O)n2cc(-c3ccc(Cl)cc3)c(N)n2)cc1F
InChIInChI=1S/C16H13ClFN3O2S/c1-10-2-7-13(8-15(10)18)24(22,23)21-9-14(16(19)20-21)11-3-5-12(17)6-4-11/h2-9H,1H3,(H2,19,20)
InChIKeyKCLVYKUJJSVGSO-UHFFFAOYSA-N
MW365.82 g/mol
LogP3.47
Rot. Bonds3

About 4-(4-chlorophenyl)-1-(3-fluoro-4-methylphenyl)sulfonylpyrazol-3-amine

4-(4-chlorophenyl)-1-(3-fluoro-4-methylphenyl)sulfonylpyrazol-3-amine (PubChem CID 1265059) has the molecular formula C16H13ClFN3O2S and a molecular weight of 365.82 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-(3-fluoro-4-methylphenyl)sulfonylpyrazol-3-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-(3-fluoro-4-methylphenyl)sulfonylpyrazol-3-amine
PubChem CID1265059
Molecular FormulaC16H13ClFN3O2S
Molecular Weight365.82 g/mol
Exact Mass365.04
IUPAC Name4-(4-chlorophenyl)-1-(3-fluoro-4-methylphenyl)sulfonylpyrazol-3-amine
SMILESCc1ccc(S(=O)(=O)n2cc(-c3ccc(Cl)cc3)c(N)n2)cc1F
InChIInChI=1S/C16H13ClFN3O2S/c1-10-2-7-13(8-15(10)18)24(22,23)21-9-14(16(19)20-21)11-3-5-12(17)6-4-11/h2-9H,1H3,(H2,19,20)
InChIKeyKCLVYKUJJSVGSO-UHFFFAOYSA-N
XLogP3.47
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-(3-fluoro-4-methylphenyl)sulfonylpyrazol-3-amine?
The IUPAC name of 4-(4-chlorophenyl)-1-(3-fluoro-4-methylphenyl)sulfonylpyrazol-3-amine (CID 1265059) is 4-(4-chlorophenyl)-1-(3-fluoro-4-methylphenyl)sulfonylpyrazol-3-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-1-(3-fluoro-4-methylphenyl)sulfonylpyrazol-3-amine?
The canonical SMILES for 4-(4-chlorophenyl)-1-(3-fluoro-4-methylphenyl)sulfonylpyrazol-3-amine is Cc1ccc(S(=O)(=O)n2cc(-c3ccc(Cl)cc3)c(N)n2)cc1F.
What is the InChIKey of 4-(4-chlorophenyl)-1-(3-fluoro-4-methylphenyl)sulfonylpyrazol-3-amine?
The InChIKey is KCLVYKUJJSVGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O2S/c1-10-2-7-13(8-15(10)18)24(22,23)21-9-14(16(19)20-21)11-3-5-12(17)6-4-11/h2-9H,1H3,(H2,19,20).
What are the key properties of 4-(4-chlorophenyl)-1-(3-fluoro-4-methylphenyl)sulfonylpyrazol-3-amine?
4-(4-chlorophenyl)-1-(3-fluoro-4-methylphenyl)sulfonylpyrazol-3-amine has a molecular weight of 365.82 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-(3-fluoro-4-methylphenyl)sulfonylpyrazol-3-amine is sourced from PubChem (CID 1265059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).