2-(3-chloro-2-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(1H-pyrazol-5-yl)acetamide

C22H20ClF2N3O4S — CID 67485798

IUPAC2-(3-chloro-2-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(1H-pyrazol-5-yl)acetamide
SMILESO=C(Nc1ccn[nH]1)C(Oc1ccc(F)cc1F)c1cccc(Cl)c1S(=O)(=O)C1CCCC1
InChIInChI=1S/C22H20ClF2N3O4S/c23-16-7-3-6-15(21(16)33(30,31)14-4-1-2-5-14)20(22(29)27-19-10-11-26-28-19)32-18-9-8-13(24)12-17(18)25/h3,6-12,14,20H,1-2,4-5H2,(H2,26,27,28,29)
InChIKeyCLSNDSIEFAKNJF-UHFFFAOYSA-N
MW495.94 g/mol
LogP4.82
Rot. Bonds7

About 2-(3-chloro-2-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(1H-pyrazol-5-yl)acetamide

2-(3-chloro-2-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(1H-pyrazol-5-yl)acetamide (PubChem CID 67485798) has the molecular formula C22H20ClF2N3O4S and a molecular weight of 495.94 g/mol. Its IUPAC name is 2-(3-chloro-2-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-2-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(1H-pyrazol-5-yl)acetamide
PubChem CID67485798
Molecular FormulaC22H20ClF2N3O4S
Molecular Weight495.94 g/mol
Exact Mass495.08
IUPAC Name2-(3-chloro-2-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(1H-pyrazol-5-yl)acetamide
SMILESO=C(Nc1ccn[nH]1)C(Oc1ccc(F)cc1F)c1cccc(Cl)c1S(=O)(=O)C1CCCC1
InChIInChI=1S/C22H20ClF2N3O4S/c23-16-7-3-6-15(21(16)33(30,31)14-4-1-2-5-14)20(22(29)27-19-10-11-26-28-19)32-18-9-8-13(24)12-17(18)25/h3,6-12,14,20H,1-2,4-5H2,(H2,26,27,28,29)
InChIKeyCLSNDSIEFAKNJF-UHFFFAOYSA-N
XLogP4.82
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.94
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(1H-pyrazol-5-yl)acetamide?
The IUPAC name of 2-(3-chloro-2-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(1H-pyrazol-5-yl)acetamide (CID 67485798) is 2-(3-chloro-2-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for 2-(3-chloro-2-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(1H-pyrazol-5-yl)acetamide?
The canonical SMILES for 2-(3-chloro-2-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(1H-pyrazol-5-yl)acetamide is O=C(Nc1ccn[nH]1)C(Oc1ccc(F)cc1F)c1cccc(Cl)c1S(=O)(=O)C1CCCC1.
What is the InChIKey of 2-(3-chloro-2-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(1H-pyrazol-5-yl)acetamide?
The InChIKey is CLSNDSIEFAKNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF2N3O4S/c23-16-7-3-6-15(21(16)33(30,31)14-4-1-2-5-14)20(22(29)27-19-10-11-26-28-19)32-18-9-8-13(24)12-17(18)25/h3,6-12,14,20H,1-2,4-5H2,(H2,26,27,28,29).
What are the key properties of 2-(3-chloro-2-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(1H-pyrazol-5-yl)acetamide?
2-(3-chloro-2-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(1H-pyrazol-5-yl)acetamide has a molecular weight of 495.94 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 67485798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).