2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide

C17H14F3N3O3S — CID 31807936

IUPAC2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C17H14F3N3O3S/c1-23(27(25,26)15-8-2-12(10-21)3-9-15)11-16(24)22-14-6-4-13(5-7-14)17(18,19)20/h2-9H,11H2,1H3,(H,22,24)
InChIKeyOZACISNFOQPLIN-UHFFFAOYSA-N
MW397.38 g/mol
LogP2.84
Rot. Bonds5

About 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide

2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 31807936) has the molecular formula C17H14F3N3O3S and a molecular weight of 397.38 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID31807936
Molecular FormulaC17H14F3N3O3S
Molecular Weight397.38 g/mol
Exact Mass397.07
IUPAC Name2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C17H14F3N3O3S/c1-23(27(25,26)15-8-2-12(10-21)3-9-15)11-16(24)22-14-6-4-13(5-7-14)17(18,19)20/h2-9H,11H2,1H3,(H,22,24)
InChIKeyOZACISNFOQPLIN-UHFFFAOYSA-N
XLogP2.84
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide
CID 26941957
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(3,5-dichlorophenyl)acetamide
CID 31763987
2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(4-cyanophenyl)acetamide
CID 113175364
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-tert-butylphenyl)acetamide
CID 7919004
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide
CID 55548337
2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 15996234
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126324001
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 110335714
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 7957178
(4-cyanophenyl)methyl 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetate
CID 7870968
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 24664110
4-cyano-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2684239

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 31807936) is 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide is CN(CC(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is OZACISNFOQPLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O3S/c1-23(27(25,26)15-8-2-12(10-21)3-9-15)11-16(24)22-14-6-4-13(5-7-14)17(18,19)20/h2-9H,11H2,1H3,(H,22,24).
What are the key properties of 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 397.38 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 31807936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).