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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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).