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

C20H18F3N5O3S — CID 162643614

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

IUPAC4-[3-(pyrrolidine-1-carbonyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cc(C(=O)N3CCCC3)nn2-c2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C20H18F3N5O3S/c21-20(22,23)14-5-8-18(25-12-14)28-17(13-3-6-15(7-4-13)32(24,30)31)11-16(26-28)19(29)27-9-1-2-10-27/h3-8,11-12H,1-2,9-10H2,(H2,24,30,31)
InChIKeyPBENYFLPYXUQSM-UHFFFAOYSA-N
MW465.46 g/mol
LogP2.84
Rot. Bonds4

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

4-[3-(pyrrolidine-1-carbonyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]benzenesulfonamide (PubChem CID 162643614) has the molecular formula C20H18F3N5O3S and a molecular weight of 465.46 g/mol. Its IUPAC name is 4-[3-(pyrrolidine-1-carbonyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(pyrrolidine-1-carbonyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]benzenesulfonamide
PubChem CID162643614
Molecular FormulaC20H18F3N5O3S
Molecular Weight465.46 g/mol
Exact Mass465.11
IUPAC Name4-[3-(pyrrolidine-1-carbonyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cc(C(=O)N3CCCC3)nn2-c2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C20H18F3N5O3S/c21-20(22,23)14-5-8-18(25-12-14)28-17(13-3-6-15(7-4-13)32(24,30)31)11-16(26-28)19(29)27-9-1-2-10-27/h3-8,11-12H,1-2,9-10H2,(H2,24,30,31)
InChIKeyPBENYFLPYXUQSM-UHFFFAOYSA-N
XLogP2.84
TPSA111.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.46
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(pyrrolidine-1-carbonyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(pyrrolidine-1-carbonyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]benzenesulfonamide (CID 162643614) is 4-[3-(pyrrolidine-1-carbonyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(pyrrolidine-1-carbonyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(pyrrolidine-1-carbonyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2cc(C(=O)N3CCCC3)nn2-c2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of 4-[3-(pyrrolidine-1-carbonyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]benzenesulfonamide?
The InChIKey is PBENYFLPYXUQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O3S/c21-20(22,23)14-5-8-18(25-12-14)28-17(13-3-6-15(7-4-13)32(24,30)31)11-16(26-28)19(29)27-9-1-2-10-27/h3-8,11-12H,1-2,9-10H2,(H2,24,30,31).
What are the key properties of 4-[3-(pyrrolidine-1-carbonyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]benzenesulfonamide?
4-[3-(pyrrolidine-1-carbonyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]benzenesulfonamide has a molecular weight of 465.46 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(pyrrolidine-1-carbonyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 162643614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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