1-(4-chlorophenyl)sulfonyl-4-(3-fluoro-4-methylphenyl)pyrazol-3-amine

C16H13ClFN3O2S — CID 1299589

IUPAC1-(4-chlorophenyl)sulfonyl-4-(3-fluoro-4-methylphenyl)pyrazol-3-amine
SMILESCc1ccc(-c2cn(S(=O)(=O)c3ccc(Cl)cc3)nc2N)cc1F
InChIInChI=1S/C16H13ClFN3O2S/c1-10-2-3-11(8-15(10)18)14-9-21(20-16(14)19)24(22,23)13-6-4-12(17)5-7-13/h2-9H,1H3,(H2,19,20)
InChIKeyRYRYQUWHGNUBIK-UHFFFAOYSA-N
MW365.82 g/mol
LogP3.47
Rot. Bonds3

About 1-(4-chlorophenyl)sulfonyl-4-(3-fluoro-4-methylphenyl)pyrazol-3-amine

1-(4-chlorophenyl)sulfonyl-4-(3-fluoro-4-methylphenyl)pyrazol-3-amine (PubChem CID 1299589) has the molecular formula C16H13ClFN3O2S and a molecular weight of 365.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-4-(3-fluoro-4-methylphenyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-4-(3-fluoro-4-methylphenyl)pyrazol-3-amine
PubChem CID1299589
Molecular FormulaC16H13ClFN3O2S
Molecular Weight365.82 g/mol
Exact Mass365.04
IUPAC Name1-(4-chlorophenyl)sulfonyl-4-(3-fluoro-4-methylphenyl)pyrazol-3-amine
SMILESCc1ccc(-c2cn(S(=O)(=O)c3ccc(Cl)cc3)nc2N)cc1F
InChIInChI=1S/C16H13ClFN3O2S/c1-10-2-3-11(8-15(10)18)14-9-21(20-16(14)19)24(22,23)13-6-4-12(17)5-7-13/h2-9H,1H3,(H2,19,20)
InChIKeyRYRYQUWHGNUBIK-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 1-(4-chlorophenyl)sulfonyl-4-(3-fluoro-4-methylphenyl)pyrazol-3-amine?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-(3-fluoro-4-methylphenyl)pyrazol-3-amine (CID 1299589) is 1-(4-chlorophenyl)sulfonyl-4-(3-fluoro-4-methylphenyl)pyrazol-3-amine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-4-(3-fluoro-4-methylphenyl)pyrazol-3-amine?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-4-(3-fluoro-4-methylphenyl)pyrazol-3-amine is Cc1ccc(-c2cn(S(=O)(=O)c3ccc(Cl)cc3)nc2N)cc1F.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-4-(3-fluoro-4-methylphenyl)pyrazol-3-amine?
The InChIKey is RYRYQUWHGNUBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O2S/c1-10-2-3-11(8-15(10)18)14-9-21(20-16(14)19)24(22,23)13-6-4-12(17)5-7-13/h2-9H,1H3,(H2,19,20).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-4-(3-fluoro-4-methylphenyl)pyrazol-3-amine?
1-(4-chlorophenyl)sulfonyl-4-(3-fluoro-4-methylphenyl)pyrazol-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 1-(4-chlorophenyl)sulfonyl-4-(3-fluoro-4-methylphenyl)pyrazol-3-amine is sourced from PubChem (CID 1299589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).