1-(2,2-difluoroethyl)-N-[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]pyrazole-4-sulfonamide

C16H26F2N4O3S — CID 99823907

IUPAC1-(2,2-difluoroethyl)-N-[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]pyrazole-4-sulfonamide
SMILESC[C@@H](NS(=O)(=O)c1cnn(CC(F)F)c1)C1(N2CCOCC2)CCCC1
InChIInChI=1S/C16H26F2N4O3S/c1-13(16(4-2-3-5-16)21-6-8-25-9-7-21)20-26(23,24)14-10-19-22(11-14)12-15(17)18/h10-11,13,15,20H,2-9,12H2,1H3/t13-/m1/s1
InChIKeyIYLKXPGFRQATDE-CYBMUJFWSA-N
MW392.47 g/mol
LogP1.46
Rot. Bonds7

About 1-(2,2-difluoroethyl)-N-[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]pyrazole-4-sulfonamide

1-(2,2-difluoroethyl)-N-[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]pyrazole-4-sulfonamide (PubChem CID 99823907) has the molecular formula C16H26F2N4O3S and a molecular weight of 392.47 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]pyrazole-4-sulfonamide
PubChem CID99823907
Molecular FormulaC16H26F2N4O3S
Molecular Weight392.47 g/mol
Exact Mass392.17
IUPAC Name1-(2,2-difluoroethyl)-N-[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]pyrazole-4-sulfonamide
SMILESC[C@@H](NS(=O)(=O)c1cnn(CC(F)F)c1)C1(N2CCOCC2)CCCC1
InChIInChI=1S/C16H26F2N4O3S/c1-13(16(4-2-3-5-16)21-6-8-25-9-7-21)20-26(23,24)14-10-19-22(11-14)12-15(17)18/h10-11,13,15,20H,2-9,12H2,1H3/t13-/m1/s1
InChIKeyIYLKXPGFRQATDE-CYBMUJFWSA-N
XLogP1.46
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-(2,2-difluoroethyl)-N-[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]pyrazole-4-sulfonamide (CID 99823907) is 1-(2,2-difluoroethyl)-N-[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]pyrazole-4-sulfonamide is C[C@@H](NS(=O)(=O)c1cnn(CC(F)F)c1)C1(N2CCOCC2)CCCC1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]pyrazole-4-sulfonamide?
The InChIKey is IYLKXPGFRQATDE-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H26F2N4O3S/c1-13(16(4-2-3-5-16)21-6-8-25-9-7-21)20-26(23,24)14-10-19-22(11-14)12-15(17)18/h10-11,13,15,20H,2-9,12H2,1H3/t13-/m1/s1.
What are the key properties of 1-(2,2-difluoroethyl)-N-[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]pyrazole-4-sulfonamide?
1-(2,2-difluoroethyl)-N-[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]pyrazole-4-sulfonamide has a molecular weight of 392.47 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 99823907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).