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4-[3-propanoyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]benzenesulfonamide

C18H15F3N4O3S — CID 162658513

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-[3-propanoyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]benzenesulfonamide
SMILESCCC(=O)c1cc(-c2ccc(S(N)(=O)=O)cc2)n(-c2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C18H15F3N4O3S/c1-2-16(26)14-9-15(11-3-6-13(7-4-11)29(22,27)28)25(24-14)17-8-5-12(10-23-17)18(19,20)21/h3-10H,2H2,1H3,(H2,22,27,28)
InChIKeyKFHSCFCKJWHGJY-UHFFFAOYSA-N
MW424.40 g/mol
LogP3.19
Rot. Bonds5

About 4-[3-propanoyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]benzenesulfonamide

4-[3-propanoyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]benzenesulfonamide (PubChem CID 162658513) has the molecular formula C18H15F3N4O3S and a molecular weight of 424.40 g/mol. Its IUPAC name is 4-[3-propanoyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-propanoyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]benzenesulfonamide
PubChem CID162658513
Molecular FormulaC18H15F3N4O3S
Molecular Weight424.40 g/mol
Exact Mass424.08
IUPAC Name4-[3-propanoyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]benzenesulfonamide
SMILESCCC(=O)c1cc(-c2ccc(S(N)(=O)=O)cc2)n(-c2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C18H15F3N4O3S/c1-2-16(26)14-9-15(11-3-6-13(7-4-11)29(22,27)28)25(24-14)17-8-5-12(10-23-17)18(19,20)21/h3-10H,2H2,1H3,(H2,22,27,28)
InChIKeyKFHSCFCKJWHGJY-UHFFFAOYSA-N
XLogP3.19
TPSA107.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-propanoyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-[3-propanoyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]benzenesulfonamide (CID 162658513) is 4-[3-propanoyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-propanoyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-propanoyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]benzenesulfonamide is CCC(=O)c1cc(-c2ccc(S(N)(=O)=O)cc2)n(-c2ccc(C(F)(F)F)cn2)n1.
What is the InChIKey of 4-[3-propanoyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]benzenesulfonamide?
The InChIKey is KFHSCFCKJWHGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O3S/c1-2-16(26)14-9-15(11-3-6-13(7-4-11)29(22,27)28)25(24-14)17-8-5-12(10-23-17)18(19,20)21/h3-10H,2H2,1H3,(H2,22,27,28).
What are the key properties of 4-[3-propanoyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]benzenesulfonamide?
4-[3-propanoyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]benzenesulfonamide has a molecular weight of 424.40 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-propanoyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 162658513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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