N-(5-chloro-2-pyridinyl)-2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetamide

C22H17ClF2N2O4S — CID 25262587

IUPACN-(5-chloro-2-pyridinyl)-2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetamide
SMILESO=C(Nc1ccc(Cl)cn1)C(Oc1ccc(F)cc1F)c1ccc(S(=O)(=O)C2CC2)cc1
InChIInChI=1S/C22H17ClF2N2O4S/c23-14-3-10-20(26-12-14)27-22(28)21(31-19-9-4-15(24)11-18(19)25)13-1-5-16(6-2-13)32(29,30)17-7-8-17/h1-6,9-12,17,21H,7-8H2,(H,26,27,28)
InChIKeyHIYHRBNMSXWHAC-UHFFFAOYSA-N
MW478.90 g/mol
LogP4.71
Rot. Bonds7

About N-(5-chloro-2-pyridinyl)-2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetamide

N-(5-chloro-2-pyridinyl)-2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetamide (PubChem CID 25262587) has the molecular formula C22H17ClF2N2O4S and a molecular weight of 478.90 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetamide
PubChem CID25262587
Molecular FormulaC22H17ClF2N2O4S
Molecular Weight478.90 g/mol
Exact Mass478.06
IUPAC NameN-(5-chloro-2-pyridinyl)-2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetamide
SMILESO=C(Nc1ccc(Cl)cn1)C(Oc1ccc(F)cc1F)c1ccc(S(=O)(=O)C2CC2)cc1
InChIInChI=1S/C22H17ClF2N2O4S/c23-14-3-10-20(26-12-14)27-22(28)21(31-19-9-4-15(24)11-18(19)25)13-1-5-16(6-2-13)32(29,30)17-7-8-17/h1-6,9-12,17,21H,7-8H2,(H,26,27,28)
InChIKeyHIYHRBNMSXWHAC-UHFFFAOYSA-N
XLogP4.71
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.90
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetamide (CID 25262587) is N-(5-chloro-2-pyridinyl)-2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetamide is O=C(Nc1ccc(Cl)cn1)C(Oc1ccc(F)cc1F)c1ccc(S(=O)(=O)C2CC2)cc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetamide?
The InChIKey is HIYHRBNMSXWHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF2N2O4S/c23-14-3-10-20(26-12-14)27-22(28)21(31-19-9-4-15(24)11-18(19)25)13-1-5-16(6-2-13)32(29,30)17-7-8-17/h1-6,9-12,17,21H,7-8H2,(H,26,27,28).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetamide?
N-(5-chloro-2-pyridinyl)-2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetamide has a molecular weight of 478.90 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetamide is sourced from PubChem (CID 25262587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).