3-[(4-fluorophenyl)sulfamoyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide

C20H15FN4O3S2 — CID 52719563

IUPAC3-[(4-fluorophenyl)sulfamoyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
SMILESO=C(Nc1cc(-c2cccs2)[nH]n1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C20H15FN4O3S2/c21-14-6-8-15(9-7-14)25-30(27,28)16-4-1-3-13(11-16)20(26)22-19-12-17(23-24-19)18-5-2-10-29-18/h1-12,25H,(H2,22,23,24,26)
InChIKeyNUAYBVMVSMIOCS-UHFFFAOYSA-N
MW442.50 g/mol
LogP4.33
Rot. Bonds6

About 3-[(4-fluorophenyl)sulfamoyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide

3-[(4-fluorophenyl)sulfamoyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide (PubChem CID 52719563) has the molecular formula C20H15FN4O3S2 and a molecular weight of 442.50 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)sulfamoyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)sulfamoyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
PubChem CID52719563
Molecular FormulaC20H15FN4O3S2
Molecular Weight442.50 g/mol
Exact Mass442.06
IUPAC Name3-[(4-fluorophenyl)sulfamoyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
SMILESO=C(Nc1cc(-c2cccs2)[nH]n1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C20H15FN4O3S2/c21-14-6-8-15(9-7-14)25-30(27,28)16-4-1-3-13(11-16)20(26)22-19-12-17(23-24-19)18-5-2-10-29-18/h1-12,25H,(H2,22,23,24,26)
InChIKeyNUAYBVMVSMIOCS-UHFFFAOYSA-N
XLogP4.33
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)sulfamoyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 3-[(4-fluorophenyl)sulfamoyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide (CID 52719563) is 3-[(4-fluorophenyl)sulfamoyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 3-[(4-fluorophenyl)sulfamoyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 3-[(4-fluorophenyl)sulfamoyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide is O=C(Nc1cc(-c2cccs2)[nH]n1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of 3-[(4-fluorophenyl)sulfamoyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide?
The InChIKey is NUAYBVMVSMIOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O3S2/c21-14-6-8-15(9-7-14)25-30(27,28)16-4-1-3-13(11-16)20(26)22-19-12-17(23-24-19)18-5-2-10-29-18/h1-12,25H,(H2,22,23,24,26).
What are the key properties of 3-[(4-fluorophenyl)sulfamoyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide?
3-[(4-fluorophenyl)sulfamoyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide has a molecular weight of 442.50 g/mol, XLogP of 4.33, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)sulfamoyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 52719563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).