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

C20H15FN4O3S2 — CID 52719568

IUPAC4-[(2-fluorophenyl)sulfamoyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
SMILESO=C(Nc1cc(-c2cccs2)[nH]n1)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C20H15FN4O3S2/c21-15-4-1-2-5-16(15)25-30(27,28)14-9-7-13(8-10-14)20(26)22-19-12-17(23-24-19)18-6-3-11-29-18/h1-12,25H,(H2,22,23,24,26)
InChIKeyVWSDLWBXVRTAPG-UHFFFAOYSA-N
MW442.50 g/mol
LogP4.33
Rot. Bonds6

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

4-[(2-fluorophenyl)sulfamoyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide (PubChem CID 52719568) has the molecular formula C20H15FN4O3S2 and a molecular weight of 442.50 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)sulfamoyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-[(2-fluorophenyl)sulfamoyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
PubChem CID52719568
Molecular FormulaC20H15FN4O3S2
Molecular Weight442.50 g/mol
Exact Mass442.06
IUPAC Name4-[(2-fluorophenyl)sulfamoyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
SMILESO=C(Nc1cc(-c2cccs2)[nH]n1)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C20H15FN4O3S2/c21-15-4-1-2-5-16(15)25-30(27,28)14-9-7-13(8-10-14)20(26)22-19-12-17(23-24-19)18-6-3-11-29-18/h1-12,25H,(H2,22,23,24,26)
InChIKeyVWSDLWBXVRTAPG-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 4-[(2-fluorophenyl)sulfamoyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 4-[(2-fluorophenyl)sulfamoyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide (CID 52719568) is 4-[(2-fluorophenyl)sulfamoyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 4-[(2-fluorophenyl)sulfamoyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 4-[(2-fluorophenyl)sulfamoyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide is O=C(Nc1cc(-c2cccs2)[nH]n1)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1.
What is the InChIKey of 4-[(2-fluorophenyl)sulfamoyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide?
The InChIKey is VWSDLWBXVRTAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O3S2/c21-15-4-1-2-5-16(15)25-30(27,28)14-9-7-13(8-10-14)20(26)22-19-12-17(23-24-19)18-6-3-11-29-18/h1-12,25H,(H2,22,23,24,26).
What are the key properties of 4-[(2-fluorophenyl)sulfamoyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide?
4-[(2-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 4-[(2-fluorophenyl)sulfamoyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 52719568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).