N-(benzenesulfonyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

C16H12FN3O3S — CID 87011281

IUPACN-(benzenesulfonyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C16H12FN3O3S/c17-12-8-6-11(7-9-12)14-10-15(19-18-14)16(21)20-24(22,23)13-4-2-1-3-5-13/h1-10H,(H,18,19)(H,20,21)
InChIKeyUDCFWQCNWPUOOZ-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.33
Rot. Bonds4

About N-(benzenesulfonyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

N-(benzenesulfonyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 87011281) has the molecular formula C16H12FN3O3S and a molecular weight of 345.36 g/mol. Its IUPAC name is N-(benzenesulfonyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID87011281
Molecular FormulaC16H12FN3O3S
Molecular Weight345.36 g/mol
Exact Mass345.06
IUPAC NameN-(benzenesulfonyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C16H12FN3O3S/c17-12-8-6-11(7-9-12)14-10-15(19-18-14)16(21)20-24(22,23)13-4-2-1-3-5-13/h1-10H,(H,18,19)(H,20,21)
InChIKeyUDCFWQCNWPUOOZ-UHFFFAOYSA-N
XLogP2.33
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (CID 87011281) is N-(benzenesulfonyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is O=C(NS(=O)(=O)c1ccccc1)c1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of N-(benzenesulfonyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is UDCFWQCNWPUOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O3S/c17-12-8-6-11(7-9-12)14-10-15(19-18-14)16(21)20-24(22,23)13-4-2-1-3-5-13/h1-10H,(H,18,19)(H,20,21).
What are the key properties of N-(benzenesulfonyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
N-(benzenesulfonyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 345.36 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 87011281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).