1-acetyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-sulfonamide

C20H17F3N4O3S — CID 26489728

IUPAC1-acetyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)Nc3cc(C(F)(F)F)ccc3-n3cccn3)ccc21
InChIInChI=1S/C20H17F3N4O3S/c1-13(28)26-10-7-14-11-16(4-6-18(14)26)31(29,30)25-17-12-15(20(21,22)23)3-5-19(17)27-9-2-8-24-27/h2-6,8-9,11-12,25H,7,10H2,1H3
InChIKeyWIPZLLPMYZPVTH-UHFFFAOYSA-N
MW450.44 g/mol
LogP3.60
Rot. Bonds4

About 1-acetyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 26489728) has the molecular formula C20H17F3N4O3S and a molecular weight of 450.44 g/mol. Its IUPAC name is 1-acetyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID26489728
Molecular FormulaC20H17F3N4O3S
Molecular Weight450.44 g/mol
Exact Mass450.10
IUPAC Name1-acetyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)Nc3cc(C(F)(F)F)ccc3-n3cccn3)ccc21
InChIInChI=1S/C20H17F3N4O3S/c1-13(28)26-10-7-14-11-16(4-6-18(14)26)31(29,30)25-17-12-15(20(21,22)23)3-5-19(17)27-9-2-8-24-27/h2-6,8-9,11-12,25H,7,10H2,1H3
InChIKeyWIPZLLPMYZPVTH-UHFFFAOYSA-N
XLogP3.60
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-[2-(4-fluorophenyl)ethyl]indazol-7-yl]acetamide
CID 122179030
US9156811, Ddd71237
CID 17484664
1-acetyl-N-[3-(1-methylpyrazol-4-yl)phenyl]-2,3-dihydroindole-5-sulfonamide
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N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
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2,4-dioxo-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide
CID 25374765
N-(4-methyl-2-pyrazol-1-ylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 102430856
1-methyl-2-oxo-4-(trifluoromethyl)-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]quinoline-6-sulfonamide
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1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 52832455
N-[4-fluoro-3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-N-methylacetamide
CID 54451755
3-[4-(Dimethylamino)phenyl]-4-pyrazol-1-yl-5-(trifluoromethyl)benzenesulfonamide
CID 90813462
N-[(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-sulfonamide (CID 26489728) is 1-acetyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-sulfonamide is CC(=O)N1CCc2cc(S(=O)(=O)Nc3cc(C(F)(F)F)ccc3-n3cccn3)ccc21.
What is the InChIKey of 1-acetyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is WIPZLLPMYZPVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O3S/c1-13(28)26-10-7-14-11-16(4-6-18(14)26)31(29,30)25-17-12-15(20(21,22)23)3-5-19(17)27-9-2-8-24-27/h2-6,8-9,11-12,25H,7,10H2,1H3.
What are the key properties of 1-acetyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 450.44 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 26489728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).