1-(benzenesulfonyl)-3-(3-fluorophenyl)pyrazol-5-amine

C15H12FN3O2S — CID 20873604

IUPAC1-(benzenesulfonyl)-3-(3-fluorophenyl)pyrazol-5-amine
SMILESNc1cc(-c2cccc(F)c2)nn1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H12FN3O2S/c16-12-6-4-5-11(9-12)14-10-15(17)19(18-14)22(20,21)13-7-2-1-3-8-13/h1-10H,17H2
InChIKeyDMHXWMDSPAFRPP-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.51
Rot. Bonds3

About 1-(benzenesulfonyl)-3-(3-fluorophenyl)pyrazol-5-amine

1-(benzenesulfonyl)-3-(3-fluorophenyl)pyrazol-5-amine (PubChem CID 20873604) has the molecular formula C15H12FN3O2S and a molecular weight of 317.35 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-(3-fluorophenyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-(3-fluorophenyl)pyrazol-5-amine
PubChem CID20873604
Molecular FormulaC15H12FN3O2S
Molecular Weight317.35 g/mol
Exact Mass317.06
IUPAC Name1-(benzenesulfonyl)-3-(3-fluorophenyl)pyrazol-5-amine
SMILESNc1cc(-c2cccc(F)c2)nn1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H12FN3O2S/c16-12-6-4-5-11(9-12)14-10-15(17)19(18-14)22(20,21)13-7-2-1-3-8-13/h1-10H,17H2
InChIKeyDMHXWMDSPAFRPP-UHFFFAOYSA-N
XLogP2.51
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-(3-fluorophenyl)pyrazol-5-amine?
The IUPAC name of 1-(benzenesulfonyl)-3-(3-fluorophenyl)pyrazol-5-amine (CID 20873604) is 1-(benzenesulfonyl)-3-(3-fluorophenyl)pyrazol-5-amine.
What is the SMILES notation for 1-(benzenesulfonyl)-3-(3-fluorophenyl)pyrazol-5-amine?
The canonical SMILES for 1-(benzenesulfonyl)-3-(3-fluorophenyl)pyrazol-5-amine is Nc1cc(-c2cccc(F)c2)nn1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-3-(3-fluorophenyl)pyrazol-5-amine?
The InChIKey is DMHXWMDSPAFRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2S/c16-12-6-4-5-11(9-12)14-10-15(17)19(18-14)22(20,21)13-7-2-1-3-8-13/h1-10H,17H2.
What are the key properties of 1-(benzenesulfonyl)-3-(3-fluorophenyl)pyrazol-5-amine?
1-(benzenesulfonyl)-3-(3-fluorophenyl)pyrazol-5-amine has a molecular weight of 317.35 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-(3-fluorophenyl)pyrazol-5-amine is sourced from PubChem (CID 20873604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).