2-[(R)-(2-cyanophenyl)sulfinyl]-N-[3-(trifluoromethyl)phenyl]benzamide

C21H13F3N2O2S — CID 40822561

IUPAC2-[(R)-(2-cyanophenyl)sulfinyl]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESN#Cc1ccccc1[S@@](=O)c1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H13F3N2O2S/c22-21(23,24)15-7-5-8-16(12-15)26-20(27)17-9-2-4-11-19(17)29(28)18-10-3-1-6-14(18)13-25/h1-12H,(H,26,27)/t29-/m1/s1
InChIKeyACVFDANZJLCTLO-GDLZYMKVSA-N
MW414.41 g/mol
LogP5.00
Rot. Bonds4

About 2-[(R)-(2-cyanophenyl)sulfinyl]-N-[3-(trifluoromethyl)phenyl]benzamide

2-[(R)-(2-cyanophenyl)sulfinyl]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 40822561) has the molecular formula C21H13F3N2O2S and a molecular weight of 414.41 g/mol. Its IUPAC name is 2-[(R)-(2-cyanophenyl)sulfinyl]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-[(R)-(2-cyanophenyl)sulfinyl]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID40822561
Molecular FormulaC21H13F3N2O2S
Molecular Weight414.41 g/mol
Exact Mass414.06
IUPAC Name2-[(R)-(2-cyanophenyl)sulfinyl]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESN#Cc1ccccc1[S@@](=O)c1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H13F3N2O2S/c22-21(23,24)15-7-5-8-16(12-15)26-20(27)17-9-2-4-11-19(17)29(28)18-10-3-1-6-14(18)13-25/h1-12H,(H,26,27)/t29-/m1/s1
InChIKeyACVFDANZJLCTLO-GDLZYMKVSA-N
XLogP5.00
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.41
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-cyano-4-[(S)-[3-(trifluoromethyl)phenyl]sulfinyl]phenyl]-4-fluorobenzamide
CID 40822490
4-cyano-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 833847
2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 3609395
N-[3-cyano-4-[(R)-methylsulfinyl]phenyl]-3-(trifluoromethyl)benzamide
CID 11864207
[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] hypobromite
CID 150746432
N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 130471222
2-hydroxy-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 154341283
4-[(4-nitrobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1118911
2-benzyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2399730
2-fluoro-N-phenyl-3-[3-(trifluoromethyl)anilino]benzamide
CID 10547402
2-[(4-chlorobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 90011775
N-(2-cyanophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 26417253

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-(2-cyanophenyl)sulfinyl]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-[(R)-(2-cyanophenyl)sulfinyl]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 40822561) is 2-[(R)-(2-cyanophenyl)sulfinyl]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-[(R)-(2-cyanophenyl)sulfinyl]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-[(R)-(2-cyanophenyl)sulfinyl]-N-[3-(trifluoromethyl)phenyl]benzamide is N#Cc1ccccc1[S@@](=O)c1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[(R)-(2-cyanophenyl)sulfinyl]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is ACVFDANZJLCTLO-GDLZYMKVSA-N. The full InChI is InChI=1S/C21H13F3N2O2S/c22-21(23,24)15-7-5-8-16(12-15)26-20(27)17-9-2-4-11-19(17)29(28)18-10-3-1-6-14(18)13-25/h1-12H,(H,26,27)/t29-/m1/s1.
What are the key properties of 2-[(R)-(2-cyanophenyl)sulfinyl]-N-[3-(trifluoromethyl)phenyl]benzamide?
2-[(R)-(2-cyanophenyl)sulfinyl]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 414.41 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-(2-cyanophenyl)sulfinyl]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 40822561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).