N-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)cyclobutylidene]-1,1,1-trifluoromethanesulfonamide

C17H11ClF5NO4S2 — CID 143883254

IUPACN-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)cyclobutylidene]-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(N=C1CC(c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)C1)C(F)(F)F
InChIInChI=1S/C17H11ClF5NO4S2/c18-10-1-4-13(5-2-10)29(25,26)16(14-7-11(19)3-6-15(14)20)8-12(9-16)24-30(27,28)17(21,22)23/h1-7H,8-9H2/b24-12-
InChIKeyXNSVCGXLAIVPDI-MSXFZWOLSA-N
MW487.86 g/mol
LogP4.37
Rot. Bonds4

About N-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)cyclobutylidene]-1,1,1-trifluoromethanesulfonamide

N-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)cyclobutylidene]-1,1,1-trifluoromethanesulfonamide (PubChem CID 143883254) has the molecular formula C17H11ClF5NO4S2 and a molecular weight of 487.86 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)cyclobutylidene]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)cyclobutylidene]-1,1,1-trifluoromethanesulfonamide
PubChem CID143883254
Molecular FormulaC17H11ClF5NO4S2
Molecular Weight487.86 g/mol
Exact Mass486.97
IUPAC NameN-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)cyclobutylidene]-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(N=C1CC(c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)C1)C(F)(F)F
InChIInChI=1S/C17H11ClF5NO4S2/c18-10-1-4-13(5-2-10)29(25,26)16(14-7-11(19)3-6-15(14)20)8-12(9-16)24-30(27,28)17(21,22)23/h1-7H,8-9H2/b24-12-
InChIKeyXNSVCGXLAIVPDI-MSXFZWOLSA-N
XLogP4.37
TPSA80.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.86
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)cyclobutylidene]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)cyclobutylidene]-1,1,1-trifluoromethanesulfonamide (CID 143883254) is N-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)cyclobutylidene]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)cyclobutylidene]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)cyclobutylidene]-1,1,1-trifluoromethanesulfonamide is O=S(=O)(N=C1CC(c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)C1)C(F)(F)F.
What is the InChIKey of N-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)cyclobutylidene]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is XNSVCGXLAIVPDI-MSXFZWOLSA-N. The full InChI is InChI=1S/C17H11ClF5NO4S2/c18-10-1-4-13(5-2-10)29(25,26)16(14-7-11(19)3-6-15(14)20)8-12(9-16)24-30(27,28)17(21,22)23/h1-7H,8-9H2/b24-12-.
What are the key properties of N-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)cyclobutylidene]-1,1,1-trifluoromethanesulfonamide?
N-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)cyclobutylidene]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 487.86 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)cyclobutylidene]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 143883254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).