2-(4-fluorophenyl)sulfonyl-N-[[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methyl]-1-methylcyclopentane-1-carboxamide

C24H24F4N4O4S — CID 134203422

IUPAC2-(4-fluorophenyl)sulfonyl-N-[[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methyl]-1-methylcyclopentane-1-carboxamide
SMILESCOc1nn(-c2ccc(C(F)(F)F)nc2)cc1CNC(=O)C1(C)CCCC1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C24H24F4N4O4S/c1-23(11-3-4-20(23)37(34,35)18-8-5-16(25)6-9-18)22(33)30-12-15-14-32(31-21(15)36-2)17-7-10-19(29-13-17)24(26,27)28/h5-10,13-14,20H,3-4,11-12H2,1-2H3,(H,30,33)
InChIKeyHRAPYHSCUKKKMN-UHFFFAOYSA-N
MW540.54 g/mol
LogP4.08
Rot. Bonds7

About 2-(4-fluorophenyl)sulfonyl-N-[[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methyl]-1-methylcyclopentane-1-carboxamide

2-(4-fluorophenyl)sulfonyl-N-[[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methyl]-1-methylcyclopentane-1-carboxamide (PubChem CID 134203422) has the molecular formula C24H24F4N4O4S and a molecular weight of 540.54 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonyl-N-[[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methyl]-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonyl-N-[[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methyl]-1-methylcyclopentane-1-carboxamide
PubChem CID134203422
Molecular FormulaC24H24F4N4O4S
Molecular Weight540.54 g/mol
Exact Mass540.15
IUPAC Name2-(4-fluorophenyl)sulfonyl-N-[[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methyl]-1-methylcyclopentane-1-carboxamide
SMILESCOc1nn(-c2ccc(C(F)(F)F)nc2)cc1CNC(=O)C1(C)CCCC1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C24H24F4N4O4S/c1-23(11-3-4-20(23)37(34,35)18-8-5-16(25)6-9-18)22(33)30-12-15-14-32(31-21(15)36-2)17-7-10-19(29-13-17)24(26,27)28/h5-10,13-14,20H,3-4,11-12H2,1-2H3,(H,30,33)
InChIKeyHRAPYHSCUKKKMN-UHFFFAOYSA-N
XLogP4.08
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.54
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

US11236046, Example 153
CID 118019709
(2R,3S)-3-fluoro-1-(4-fluorophenylsulfonyl)-N-((3-methoxy-1-(6-(trifluoromethyl)pyridin-3-yl)-1H-pyrazol-4-yl)methyl)pyrrolidine-2-carboxamide
CID 118019758
US11236046, Example 125
CID 118019796
US10766878, Example 22
CID 134203417
US10766878, Example 31
CID 134203423
US10766878, Example 39
CID 134203425
US10766878, Example 40
CID 134203426
US10766878, Example 4
CID 134203530
US10766878, Example 24
CID 134203531
US10766878, Example 25
CID 134203549
US10766878, Example 13
CID 134203552
US10766878, Example 12
CID 134203556

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfonyl-N-[[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methyl]-1-methylcyclopentane-1-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)sulfonyl-N-[[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methyl]-1-methylcyclopentane-1-carboxamide (CID 134203422) is 2-(4-fluorophenyl)sulfonyl-N-[[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methyl]-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonyl-N-[[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methyl]-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfonyl-N-[[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methyl]-1-methylcyclopentane-1-carboxamide is COc1nn(-c2ccc(C(F)(F)F)nc2)cc1CNC(=O)C1(C)CCCC1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfonyl-N-[[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methyl]-1-methylcyclopentane-1-carboxamide?
The InChIKey is HRAPYHSCUKKKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F4N4O4S/c1-23(11-3-4-20(23)37(34,35)18-8-5-16(25)6-9-18)22(33)30-12-15-14-32(31-21(15)36-2)17-7-10-19(29-13-17)24(26,27)28/h5-10,13-14,20H,3-4,11-12H2,1-2H3,(H,30,33).
What are the key properties of 2-(4-fluorophenyl)sulfonyl-N-[[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methyl]-1-methylcyclopentane-1-carboxamide?
2-(4-fluorophenyl)sulfonyl-N-[[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methyl]-1-methylcyclopentane-1-carboxamide has a molecular weight of 540.54 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonyl-N-[[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methyl]-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 134203422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).