4-(difluoromethylsulfonyl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide

C15H11F2N3O3S2 — CID 52719416

IUPAC4-(difluoromethylsulfonyl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
SMILESO=C(Nc1cc(-c2cccs2)[nH]n1)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C15H11F2N3O3S2/c16-15(17)25(22,23)10-5-3-9(4-6-10)14(21)18-13-8-11(19-20-13)12-2-1-7-24-12/h1-8,15H,(H2,18,19,20,21)
InChIKeyQYMNLLDJBRBSOS-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.39
Rot. Bonds5

About 4-(difluoromethylsulfonyl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide

4-(difluoromethylsulfonyl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide (PubChem CID 52719416) has the molecular formula C15H11F2N3O3S2 and a molecular weight of 383.40 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
PubChem CID52719416
Molecular FormulaC15H11F2N3O3S2
Molecular Weight383.40 g/mol
Exact Mass383.02
IUPAC Name4-(difluoromethylsulfonyl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
SMILESO=C(Nc1cc(-c2cccs2)[nH]n1)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C15H11F2N3O3S2/c16-15(17)25(22,23)10-5-3-9(4-6-10)14(21)18-13-8-11(19-20-13)12-2-1-7-24-12/h1-8,15H,(H2,18,19,20,21)
InChIKeyQYMNLLDJBRBSOS-UHFFFAOYSA-N
XLogP3.39
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide (CID 52719416) is 4-(difluoromethylsulfonyl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide is O=C(Nc1cc(-c2cccs2)[nH]n1)c1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide?
The InChIKey is QYMNLLDJBRBSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O3S2/c16-15(17)25(22,23)10-5-3-9(4-6-10)14(21)18-13-8-11(19-20-13)12-2-1-7-24-12/h1-8,15H,(H2,18,19,20,21).
What are the key properties of 4-(difluoromethylsulfonyl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide?
4-(difluoromethylsulfonyl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide has a molecular weight of 383.40 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 52719416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).