2-[(2-ethoxyphenyl)sulfonylamino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide

C22H19F3N2O6S2 — CID 56593312

IUPAC2-[(2-ethoxyphenyl)sulfonylamino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide
SMILESCCOc1ccccc1S(=O)(=O)Nc1ccccc1C(=O)Nc1cccc(S(=O)(=O)C(F)(F)F)c1
InChIInChI=1S/C22H19F3N2O6S2/c1-2-33-19-12-5-6-13-20(19)35(31,32)27-18-11-4-3-10-17(18)21(28)26-15-8-7-9-16(14-15)34(29,30)22(23,24)25/h3-14,27H,2H2,1H3,(H,26,28)
InChIKeyGXVNJYCNFDGQPG-UHFFFAOYSA-N
MW528.53 g/mol
LogP4.43
Rot. Bonds8

About 2-[(2-ethoxyphenyl)sulfonylamino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide

2-[(2-ethoxyphenyl)sulfonylamino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide (PubChem CID 56593312) has the molecular formula C22H19F3N2O6S2 and a molecular weight of 528.53 g/mol. Its IUPAC name is 2-[(2-ethoxyphenyl)sulfonylamino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide.

Molecular Properties

Compound Name2-[(2-ethoxyphenyl)sulfonylamino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide
PubChem CID56593312
Molecular FormulaC22H19F3N2O6S2
Molecular Weight528.53 g/mol
Exact Mass528.06
IUPAC Name2-[(2-ethoxyphenyl)sulfonylamino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide
SMILESCCOc1ccccc1S(=O)(=O)Nc1ccccc1C(=O)Nc1cccc(S(=O)(=O)C(F)(F)F)c1
InChIInChI=1S/C22H19F3N2O6S2/c1-2-33-19-12-5-6-13-20(19)35(31,32)27-18-11-4-3-10-17(18)21(28)26-15-8-7-9-16(14-15)34(29,30)22(23,24)25/h3-14,27H,2H2,1H3,(H,26,28)
InChIKeyGXVNJYCNFDGQPG-UHFFFAOYSA-N
XLogP4.43
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.53
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxyphenyl)sulfonylamino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide?
The IUPAC name of 2-[(2-ethoxyphenyl)sulfonylamino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide (CID 56593312) is 2-[(2-ethoxyphenyl)sulfonylamino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide.
What is the SMILES notation for 2-[(2-ethoxyphenyl)sulfonylamino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide?
The canonical SMILES for 2-[(2-ethoxyphenyl)sulfonylamino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide is CCOc1ccccc1S(=O)(=O)Nc1ccccc1C(=O)Nc1cccc(S(=O)(=O)C(F)(F)F)c1.
What is the InChIKey of 2-[(2-ethoxyphenyl)sulfonylamino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide?
The InChIKey is GXVNJYCNFDGQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O6S2/c1-2-33-19-12-5-6-13-20(19)35(31,32)27-18-11-4-3-10-17(18)21(28)26-15-8-7-9-16(14-15)34(29,30)22(23,24)25/h3-14,27H,2H2,1H3,(H,26,28).
What are the key properties of 2-[(2-ethoxyphenyl)sulfonylamino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide?
2-[(2-ethoxyphenyl)sulfonylamino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide has a molecular weight of 528.53 g/mol, XLogP of 4.43, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxyphenyl)sulfonylamino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide is sourced from PubChem (CID 56593312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).