2-(difluoromethylsulfonyl)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzamide

C17H15F2N3O3S2 — CID 86266389

IUPAC2-(difluoromethylsulfonyl)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzamide
SMILESO=C(NCCn1ccc(-c2ccsc2)n1)c1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C17H15F2N3O3S2/c18-17(19)27(24,25)15-4-2-1-3-13(15)16(23)20-7-9-22-8-5-14(21-22)12-6-10-26-11-12/h1-6,8,10-11,17H,7,9H2,(H,20,23)
InChIKeySIONTBGHUOOUSG-UHFFFAOYSA-N
MW411.46 g/mol
LogP3.04
Rot. Bonds7

About 2-(difluoromethylsulfonyl)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzamide

2-(difluoromethylsulfonyl)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzamide (PubChem CID 86266389) has the molecular formula C17H15F2N3O3S2 and a molecular weight of 411.46 g/mol. Its IUPAC name is 2-(difluoromethylsulfonyl)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethylsulfonyl)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzamide
PubChem CID86266389
Molecular FormulaC17H15F2N3O3S2
Molecular Weight411.46 g/mol
Exact Mass411.05
IUPAC Name2-(difluoromethylsulfonyl)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzamide
SMILESO=C(NCCn1ccc(-c2ccsc2)n1)c1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C17H15F2N3O3S2/c18-17(19)27(24,25)15-4-2-1-3-13(15)16(23)20-7-9-22-8-5-14(21-22)12-6-10-26-11-12/h1-6,8,10-11,17H,7,9H2,(H,20,23)
InChIKeySIONTBGHUOOUSG-UHFFFAOYSA-N
XLogP3.04
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

phenyl[3-(2-thienyl)-1H-pyrazol-1-yl]methanone
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CID 10246779
5-(1-benzyl-1H-pyrazol-3-yl)-N-hydroxythiophene-2-carboxamide
CID 10470023
N-hydroxy-5-(1-phenethyl-1H-pyrazol-3-yl)thiophene-2-carboxamide
CID 11723098
N-hydroxy-5-(1-(3-phenylpropyl)-1H-pyrazol-3-yl)thiophene-2-carboxamide
CID 44418166
N-hydroxy-5-(1-(2-(phenethylamino)ethyl)-1H-pyrazol-3-yl)thiophene-2-carboxamide
CID 44418137
N-[4-(4-fluorophenyl)piperidin-4-yl]-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide
CID 127049214
N-[(2S)-1-[(4-cyano-1,1-dioxothian-4-yl)amino]-1-oxo-3-pyridin-3-ylpropan-2-yl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxamide
CID 145969983
N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide;hydrochloride
CID 155518023
[3-(2-thienyl)-1H-pyrazol-1-yl][4-(trifluoromethyl)phenyl]methanone
CID 2814853
N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]-4-methyl-5-phenyl-2-thiophenecarboxamide
CID 1244268
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-thiophenecarboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfonyl)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzamide?
The IUPAC name of 2-(difluoromethylsulfonyl)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzamide (CID 86266389) is 2-(difluoromethylsulfonyl)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-(difluoromethylsulfonyl)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzamide?
The canonical SMILES for 2-(difluoromethylsulfonyl)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzamide is O=C(NCCn1ccc(-c2ccsc2)n1)c1ccccc1S(=O)(=O)C(F)F.
What is the InChIKey of 2-(difluoromethylsulfonyl)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzamide?
The InChIKey is SIONTBGHUOOUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O3S2/c18-17(19)27(24,25)15-4-2-1-3-13(15)16(23)20-7-9-22-8-5-14(21-22)12-6-10-26-11-12/h1-6,8,10-11,17H,7,9H2,(H,20,23).
What are the key properties of 2-(difluoromethylsulfonyl)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzamide?
2-(difluoromethylsulfonyl)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzamide has a molecular weight of 411.46 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonyl)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 86266389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).