3-(methanesulfonamido)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide

C16H16F3N3O3S — CID 47829726

IUPAC3-(methanesulfonamido)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)Nc2ccccc2NCC(F)(F)F)c1
InChIInChI=1S/C16H16F3N3O3S/c1-26(24,25)22-12-6-4-5-11(9-12)15(23)21-14-8-3-2-7-13(14)20-10-16(17,18)19/h2-9,20,22H,10H2,1H3,(H,21,23)
InChIKeyDBWFSLQGQZJFNG-UHFFFAOYSA-N
MW387.38 g/mol
LogP3.28
Rot. Bonds6

About 3-(methanesulfonamido)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide

3-(methanesulfonamido)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide (PubChem CID 47829726) has the molecular formula C16H16F3N3O3S and a molecular weight of 387.38 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide
PubChem CID47829726
Molecular FormulaC16H16F3N3O3S
Molecular Weight387.38 g/mol
Exact Mass387.09
IUPAC Name3-(methanesulfonamido)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)Nc2ccccc2NCC(F)(F)F)c1
InChIInChI=1S/C16H16F3N3O3S/c1-26(24,25)22-12-6-4-5-11(9-12)15(23)21-14-8-3-2-7-13(14)20-10-16(17,18)19/h2-9,20,22H,10H2,1H3,(H,21,23)
InChIKeyDBWFSLQGQZJFNG-UHFFFAOYSA-N
XLogP3.28
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.38
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[3-(methanesulfonamido)phenyl]-3-phenylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide?
The IUPAC name of 3-(methanesulfonamido)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide (CID 47829726) is 3-(methanesulfonamido)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide.
What is the SMILES notation for 3-(methanesulfonamido)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide?
The canonical SMILES for 3-(methanesulfonamido)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide is CS(=O)(=O)Nc1cccc(C(=O)Nc2ccccc2NCC(F)(F)F)c1.
What is the InChIKey of 3-(methanesulfonamido)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide?
The InChIKey is DBWFSLQGQZJFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O3S/c1-26(24,25)22-12-6-4-5-11(9-12)15(23)21-14-8-3-2-7-13(14)20-10-16(17,18)19/h2-9,20,22H,10H2,1H3,(H,21,23).
What are the key properties of 3-(methanesulfonamido)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide?
3-(methanesulfonamido)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide has a molecular weight of 387.38 g/mol, XLogP of 3.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide is sourced from PubChem (CID 47829726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).