2-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(2,4-difluorophenyl)acetamide

C19H20ClF2N3O4S — CID 5093118

IUPAC2-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(2,4-difluorophenyl)acetamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCN(CC(=O)Nc2ccc(F)cc2F)CC1
InChIInChI=1S/C19H20ClF2N3O4S/c1-29-17-5-2-13(20)10-18(17)30(27,28)25-8-6-24(7-9-25)12-19(26)23-16-4-3-14(21)11-15(16)22/h2-5,10-11H,6-9,12H2,1H3,(H,23,26)
InChIKeyAXMHHFQCXLGTCE-UHFFFAOYSA-N
MW459.90 g/mol
LogP2.57
Rot. Bonds6

About 2-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(2,4-difluorophenyl)acetamide

2-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(2,4-difluorophenyl)acetamide (PubChem CID 5093118) has the molecular formula C19H20ClF2N3O4S and a molecular weight of 459.90 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(2,4-difluorophenyl)acetamide
PubChem CID5093118
Molecular FormulaC19H20ClF2N3O4S
Molecular Weight459.90 g/mol
Exact Mass459.08
IUPAC Name2-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(2,4-difluorophenyl)acetamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCN(CC(=O)Nc2ccc(F)cc2F)CC1
InChIInChI=1S/C19H20ClF2N3O4S/c1-29-17-5-2-13(20)10-18(17)30(27,28)25-8-6-24(7-9-25)12-19(26)23-16-4-3-14(21)11-15(16)22/h2-5,10-11H,6-9,12H2,1H3,(H,23,26)
InChIKeyAXMHHFQCXLGTCE-UHFFFAOYSA-N
XLogP2.57
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.90
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(2,4-difluorophenyl)acetamide (CID 5093118) is 2-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(2,4-difluorophenyl)acetamide is COc1ccc(Cl)cc1S(=O)(=O)N1CCN(CC(=O)Nc2ccc(F)cc2F)CC1.
What is the InChIKey of 2-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(2,4-difluorophenyl)acetamide?
The InChIKey is AXMHHFQCXLGTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF2N3O4S/c1-29-17-5-2-13(20)10-18(17)30(27,28)25-8-6-24(7-9-25)12-19(26)23-16-4-3-14(21)11-15(16)22/h2-5,10-11H,6-9,12H2,1H3,(H,23,26).
What are the key properties of 2-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(2,4-difluorophenyl)acetamide?
2-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(2,4-difluorophenyl)acetamide has a molecular weight of 459.90 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 5093118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).