2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide

C19H19Cl2F2N3O4S — CID 27194088

IUPAC2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H19Cl2F2N3O4S/c20-15-2-1-3-16(18(15)21)31(28,29)26-10-8-25(9-11-26)12-17(27)24-13-4-6-14(7-5-13)30-19(22)23/h1-7,19H,8-12H2,(H,24,27)
InChIKeyVJZOYVRXKYUXIE-UHFFFAOYSA-N
MW494.35 g/mol
LogP3.54
Rot. Bonds7

About 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide

2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide (PubChem CID 27194088) has the molecular formula C19H19Cl2F2N3O4S and a molecular weight of 494.35 g/mol. Its IUPAC name is 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide
PubChem CID27194088
Molecular FormulaC19H19Cl2F2N3O4S
Molecular Weight494.35 g/mol
Exact Mass493.04
IUPAC Name2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H19Cl2F2N3O4S/c20-15-2-1-3-16(18(15)21)31(28,29)26-10-8-25(9-11-26)12-17(27)24-13-4-6-14(7-5-13)30-19(22)23/h1-7,19H,8-12H2,(H,24,27)
InChIKeyVJZOYVRXKYUXIE-UHFFFAOYSA-N
XLogP3.54
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide (CID 27194088) is 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide is O=C(CN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide?
The InChIKey is VJZOYVRXKYUXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2F2N3O4S/c20-15-2-1-3-16(18(15)21)31(28,29)26-10-8-25(9-11-26)12-17(27)24-13-4-6-14(7-5-13)30-19(22)23/h1-7,19H,8-12H2,(H,24,27).
What are the key properties of 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide?
2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide has a molecular weight of 494.35 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 27194088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).