2,6-difluoro-N-[4-(4-methylphenyl)sulfonylphenyl]benzamide

C20H15F2NO3S — CID 1486272

IUPAC2,6-difluoro-N-[4-(4-methylphenyl)sulfonylphenyl]benzamide
SMILESCc1ccc(S(=O)(=O)c2ccc(NC(=O)c3c(F)cccc3F)cc2)cc1
InChIInChI=1S/C20H15F2NO3S/c1-13-5-9-15(10-6-13)27(25,26)16-11-7-14(8-12-16)23-20(24)19-17(21)3-2-4-18(19)22/h2-12H,1H3,(H,23,24)
InChIKeyBIEAZCHWSHQVPN-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.36
Rot. Bonds4

About 2,6-difluoro-N-[4-(4-methylphenyl)sulfonylphenyl]benzamide

2,6-difluoro-N-[4-(4-methylphenyl)sulfonylphenyl]benzamide (PubChem CID 1486272) has the molecular formula C20H15F2NO3S and a molecular weight of 387.41 g/mol. Its IUPAC name is 2,6-difluoro-N-[4-(4-methylphenyl)sulfonylphenyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[4-(4-methylphenyl)sulfonylphenyl]benzamide
PubChem CID1486272
Molecular FormulaC20H15F2NO3S
Molecular Weight387.41 g/mol
Exact Mass387.07
IUPAC Name2,6-difluoro-N-[4-(4-methylphenyl)sulfonylphenyl]benzamide
SMILESCc1ccc(S(=O)(=O)c2ccc(NC(=O)c3c(F)cccc3F)cc2)cc1
InChIInChI=1S/C20H15F2NO3S/c1-13-5-9-15(10-6-13)27(25,26)16-11-7-14(8-12-16)23-20(24)19-17(21)3-2-4-18(19)22/h2-12H,1H3,(H,23,24)
InChIKeyBIEAZCHWSHQVPN-UHFFFAOYSA-N
XLogP4.36
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[4-(4-methylphenyl)sulfonylphenyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[4-(4-methylphenyl)sulfonylphenyl]benzamide (CID 1486272) is 2,6-difluoro-N-[4-(4-methylphenyl)sulfonylphenyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[4-(4-methylphenyl)sulfonylphenyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[4-(4-methylphenyl)sulfonylphenyl]benzamide is Cc1ccc(S(=O)(=O)c2ccc(NC(=O)c3c(F)cccc3F)cc2)cc1.
What is the InChIKey of 2,6-difluoro-N-[4-(4-methylphenyl)sulfonylphenyl]benzamide?
The InChIKey is BIEAZCHWSHQVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2NO3S/c1-13-5-9-15(10-6-13)27(25,26)16-11-7-14(8-12-16)23-20(24)19-17(21)3-2-4-18(19)22/h2-12H,1H3,(H,23,24).
What are the key properties of 2,6-difluoro-N-[4-(4-methylphenyl)sulfonylphenyl]benzamide?
2,6-difluoro-N-[4-(4-methylphenyl)sulfonylphenyl]benzamide has a molecular weight of 387.41 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[4-(4-methylphenyl)sulfonylphenyl]benzamide is sourced from PubChem (CID 1486272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).