3-(4-bromophenyl)-1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-5-amine

C16H13BrFN3O2S — CID 20873632

IUPAC3-(4-bromophenyl)-1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-5-amine
SMILESCc1cc(S(=O)(=O)n2nc(-c3ccc(Br)cc3)cc2N)ccc1F
InChIInChI=1S/C16H13BrFN3O2S/c1-10-8-13(6-7-14(10)18)24(22,23)21-16(19)9-15(20-21)11-2-4-12(17)5-3-11/h2-9H,19H2,1H3
InChIKeyGOKISKLCZQJWNP-UHFFFAOYSA-N
MW410.27 g/mol
LogP3.58
Rot. Bonds3

About 3-(4-bromophenyl)-1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-5-amine

3-(4-bromophenyl)-1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-5-amine (PubChem CID 20873632) has the molecular formula C16H13BrFN3O2S and a molecular weight of 410.27 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-5-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-5-amine
PubChem CID20873632
Molecular FormulaC16H13BrFN3O2S
Molecular Weight410.27 g/mol
Exact Mass408.99
IUPAC Name3-(4-bromophenyl)-1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-5-amine
SMILESCc1cc(S(=O)(=O)n2nc(-c3ccc(Br)cc3)cc2N)ccc1F
InChIInChI=1S/C16H13BrFN3O2S/c1-10-8-13(6-7-14(10)18)24(22,23)21-16(19)9-15(20-21)11-2-4-12(17)5-3-11/h2-9H,19H2,1H3
InChIKeyGOKISKLCZQJWNP-UHFFFAOYSA-N
XLogP3.58
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.27
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-5-amine?
The IUPAC name of 3-(4-bromophenyl)-1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-5-amine (CID 20873632) is 3-(4-bromophenyl)-1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-5-amine.
What is the SMILES notation for 3-(4-bromophenyl)-1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-5-amine?
The canonical SMILES for 3-(4-bromophenyl)-1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-5-amine is Cc1cc(S(=O)(=O)n2nc(-c3ccc(Br)cc3)cc2N)ccc1F.
What is the InChIKey of 3-(4-bromophenyl)-1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-5-amine?
The InChIKey is GOKISKLCZQJWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFN3O2S/c1-10-8-13(6-7-14(10)18)24(22,23)21-16(19)9-15(20-21)11-2-4-12(17)5-3-11/h2-9H,19H2,1H3.
What are the key properties of 3-(4-bromophenyl)-1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-5-amine?
3-(4-bromophenyl)-1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-5-amine has a molecular weight of 410.27 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-5-amine is sourced from PubChem (CID 20873632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).