4-cyano-N-[3-methyl-4-(trifluoromethylsulfonylamino)phenyl]benzamide

C16H12F3N3O3S — CID 155551960

IUPAC4-cyano-N-[3-methyl-4-(trifluoromethylsulfonylamino)phenyl]benzamide
SMILESCc1cc(NC(=O)c2ccc(C#N)cc2)ccc1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C16H12F3N3O3S/c1-10-8-13(6-7-14(10)22-26(24,25)16(17,18)19)21-15(23)12-4-2-11(9-20)3-5-12/h2-8,22H,1H3,(H,21,23)
InChIKeyTVEMNXIDMJHFBK-UHFFFAOYSA-N
MW383.35 g/mol
LogP3.38
Rot. Bonds4

About 4-cyano-N-[3-methyl-4-(trifluoromethylsulfonylamino)phenyl]benzamide

4-cyano-N-[3-methyl-4-(trifluoromethylsulfonylamino)phenyl]benzamide (PubChem CID 155551960) has the molecular formula C16H12F3N3O3S and a molecular weight of 383.35 g/mol. Its IUPAC name is 4-cyano-N-[3-methyl-4-(trifluoromethylsulfonylamino)phenyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[3-methyl-4-(trifluoromethylsulfonylamino)phenyl]benzamide
PubChem CID155551960
Molecular FormulaC16H12F3N3O3S
Molecular Weight383.35 g/mol
Exact Mass383.06
IUPAC Name4-cyano-N-[3-methyl-4-(trifluoromethylsulfonylamino)phenyl]benzamide
SMILESCc1cc(NC(=O)c2ccc(C#N)cc2)ccc1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C16H12F3N3O3S/c1-10-8-13(6-7-14(10)22-26(24,25)16(17,18)19)21-15(23)12-4-2-11(9-20)3-5-12/h2-8,22H,1H3,(H,21,23)
InChIKeyTVEMNXIDMJHFBK-UHFFFAOYSA-N
XLogP3.38
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.35
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[3-methyl-4-(trifluoromethylsulfonylamino)phenyl]benzamide
CID 155510385
1-N-(4-cyanophenyl)-4-N-(2,4-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109049608
4-cyano-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64792528
4-cyano-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2684239
4-N-(3-chloro-4-methylphenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109050028
5-[(4-cyanobenzoyl)amino]-2-methylbenzoyl chloride
CID 22667774
N-(4-cyanophenyl)-3-fluoro-4-methylbenzamide
CID 24694502
4-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide
CID 55948187
4-(4-cyanoanilino)-3-methylbenzoic acid
CID 63212717
[4-[[5-[(4-cyanobenzoyl)amino]-2-methylphenyl]carbamoyl]phenyl] acetate
CID 22291103
1-N-(4-cyanophenyl)-4-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109050204
N-(4-cyanophenyl)-3-iodo-4-methylbenzamide
CID 3409554

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[3-methyl-4-(trifluoromethylsulfonylamino)phenyl]benzamide?
The IUPAC name of 4-cyano-N-[3-methyl-4-(trifluoromethylsulfonylamino)phenyl]benzamide (CID 155551960) is 4-cyano-N-[3-methyl-4-(trifluoromethylsulfonylamino)phenyl]benzamide.
What is the SMILES notation for 4-cyano-N-[3-methyl-4-(trifluoromethylsulfonylamino)phenyl]benzamide?
The canonical SMILES for 4-cyano-N-[3-methyl-4-(trifluoromethylsulfonylamino)phenyl]benzamide is Cc1cc(NC(=O)c2ccc(C#N)cc2)ccc1NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 4-cyano-N-[3-methyl-4-(trifluoromethylsulfonylamino)phenyl]benzamide?
The InChIKey is TVEMNXIDMJHFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O3S/c1-10-8-13(6-7-14(10)22-26(24,25)16(17,18)19)21-15(23)12-4-2-11(9-20)3-5-12/h2-8,22H,1H3,(H,21,23).
What are the key properties of 4-cyano-N-[3-methyl-4-(trifluoromethylsulfonylamino)phenyl]benzamide?
4-cyano-N-[3-methyl-4-(trifluoromethylsulfonylamino)phenyl]benzamide has a molecular weight of 383.35 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[3-methyl-4-(trifluoromethylsulfonylamino)phenyl]benzamide is sourced from PubChem (CID 155551960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).