1-(2,2-difluorocyclopentyl)-N-[1-(1-methylpyrazol-3-yl)ethyl]methanesulfonamide

C12H19F2N3O2S — CID 128776304

IUPAC1-(2,2-difluorocyclopentyl)-N-[1-(1-methylpyrazol-3-yl)ethyl]methanesulfonamide
SMILESCC(NS(=O)(=O)CC1CCCC1(F)F)c1ccn(C)n1
InChIInChI=1S/C12H19F2N3O2S/c1-9(11-5-7-17(2)15-11)16-20(18,19)8-10-4-3-6-12(10,13)14/h5,7,9-10,16H,3-4,6,8H2,1-2H3
InChIKeyUYLXRBJSLZNMOK-UHFFFAOYSA-N
MW307.37 g/mol
LogP1.84
Rot. Bonds5

About 1-(2,2-difluorocyclopentyl)-N-[1-(1-methylpyrazol-3-yl)ethyl]methanesulfonamide

1-(2,2-difluorocyclopentyl)-N-[1-(1-methylpyrazol-3-yl)ethyl]methanesulfonamide (PubChem CID 128776304) has the molecular formula C12H19F2N3O2S and a molecular weight of 307.37 g/mol. Its IUPAC name is 1-(2,2-difluorocyclopentyl)-N-[1-(1-methylpyrazol-3-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2,2-difluorocyclopentyl)-N-[1-(1-methylpyrazol-3-yl)ethyl]methanesulfonamide
PubChem CID128776304
Molecular FormulaC12H19F2N3O2S
Molecular Weight307.37 g/mol
Exact Mass307.12
IUPAC Name1-(2,2-difluorocyclopentyl)-N-[1-(1-methylpyrazol-3-yl)ethyl]methanesulfonamide
SMILESCC(NS(=O)(=O)CC1CCCC1(F)F)c1ccn(C)n1
InChIInChI=1S/C12H19F2N3O2S/c1-9(11-5-7-17(2)15-11)16-20(18,19)8-10-4-3-6-12(10,13)14/h5,7,9-10,16H,3-4,6,8H2,1-2H3
InChIKeyUYLXRBJSLZNMOK-UHFFFAOYSA-N
XLogP1.84
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluorocyclopentyl)-N-[1-(1-methylpyrazol-3-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-(2,2-difluorocyclopentyl)-N-[1-(1-methylpyrazol-3-yl)ethyl]methanesulfonamide (CID 128776304) is 1-(2,2-difluorocyclopentyl)-N-[1-(1-methylpyrazol-3-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(2,2-difluorocyclopentyl)-N-[1-(1-methylpyrazol-3-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(2,2-difluorocyclopentyl)-N-[1-(1-methylpyrazol-3-yl)ethyl]methanesulfonamide is CC(NS(=O)(=O)CC1CCCC1(F)F)c1ccn(C)n1.
What is the InChIKey of 1-(2,2-difluorocyclopentyl)-N-[1-(1-methylpyrazol-3-yl)ethyl]methanesulfonamide?
The InChIKey is UYLXRBJSLZNMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3O2S/c1-9(11-5-7-17(2)15-11)16-20(18,19)8-10-4-3-6-12(10,13)14/h5,7,9-10,16H,3-4,6,8H2,1-2H3.
What are the key properties of 1-(2,2-difluorocyclopentyl)-N-[1-(1-methylpyrazol-3-yl)ethyl]methanesulfonamide?
1-(2,2-difluorocyclopentyl)-N-[1-(1-methylpyrazol-3-yl)ethyl]methanesulfonamide has a molecular weight of 307.37 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluorocyclopentyl)-N-[1-(1-methylpyrazol-3-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 128776304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).