N-[4-[4-(trifluoromethylsulfonyl)phenyl]phenyl]formamide

C14H10F3NO3S — CID 86223974

IUPACN-[4-[4-(trifluoromethylsulfonyl)phenyl]phenyl]formamide
SMILESO=CNc1ccc(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1
InChIInChI=1S/C14H10F3NO3S/c15-14(16,17)22(20,21)13-7-3-11(4-8-13)10-1-5-12(6-2-10)18-9-19/h1-9H,(H,18,19)
InChIKeyMNKHMQFJQGIWQA-UHFFFAOYSA-N
MW329.30 g/mol
LogP3.22
Rot. Bonds4

About N-[4-[4-(trifluoromethylsulfonyl)phenyl]phenyl]formamide

N-[4-[4-(trifluoromethylsulfonyl)phenyl]phenyl]formamide (PubChem CID 86223974) has the molecular formula C14H10F3NO3S and a molecular weight of 329.30 g/mol. Its IUPAC name is N-[4-[4-(trifluoromethylsulfonyl)phenyl]phenyl]formamide.

Molecular Properties

Compound NameN-[4-[4-(trifluoromethylsulfonyl)phenyl]phenyl]formamide
PubChem CID86223974
Molecular FormulaC14H10F3NO3S
Molecular Weight329.30 g/mol
Exact Mass329.03
IUPAC NameN-[4-[4-(trifluoromethylsulfonyl)phenyl]phenyl]formamide
SMILESO=CNc1ccc(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1
InChIInChI=1S/C14H10F3NO3S/c15-14(16,17)22(20,21)13-7-3-11(4-8-13)10-1-5-12(6-2-10)18-9-19/h1-9H,(H,18,19)
InChIKeyMNKHMQFJQGIWQA-UHFFFAOYSA-N
XLogP3.22
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.30
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[4-(hydroxysulfamoyl)phenyl]formamide
CID 89316747
1,3-bis[4-(trifluoromethylsulfonyl)phenyl]urea
CID 19433219
N-[4-(4-methylphenyl)phenyl]formamide
CID 87370886
4-(trifluoromethylsulfonyl)-N-(3,3,3-trifluoropropyl)aniline
CID 63226683
4-(trifluoromethylsulfonyl)phenol
CID 14857426
5-[4-(trifluoromethylsulfonyl)anilino]pentanenitrile
CID 133299884
3-[4-(trifluoromethylsulfonyl)anilino]propane-1,2-diol
CID 66175657
1-[4-(trifluoromethylsulfonyl)anilino]pyrazole-4-carboxamide
CID 140651566
2-ethyl-1-N-[4-(trifluoromethylsulfonyl)phenyl]butane-1,2-diamine
CID 115306206
2-ethyl-2-[4-(trifluoromethylsulfonyl)anilino]propane-1,3-diol
CID 103738506
2-methyl-1-[4-(trifluoromethylsulfonyl)anilino]butan-2-ol
CID 62662886
N-(2-methyl-2-methylsulfanylpropyl)-4-(trifluoromethylsulfonyl)aniline
CID 115663481

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(trifluoromethylsulfonyl)phenyl]phenyl]formamide?
The IUPAC name of N-[4-[4-(trifluoromethylsulfonyl)phenyl]phenyl]formamide (CID 86223974) is N-[4-[4-(trifluoromethylsulfonyl)phenyl]phenyl]formamide.
What is the SMILES notation for N-[4-[4-(trifluoromethylsulfonyl)phenyl]phenyl]formamide?
The canonical SMILES for N-[4-[4-(trifluoromethylsulfonyl)phenyl]phenyl]formamide is O=CNc1ccc(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1.
What is the InChIKey of N-[4-[4-(trifluoromethylsulfonyl)phenyl]phenyl]formamide?
The InChIKey is MNKHMQFJQGIWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO3S/c15-14(16,17)22(20,21)13-7-3-11(4-8-13)10-1-5-12(6-2-10)18-9-19/h1-9H,(H,18,19).
What are the key properties of N-[4-[4-(trifluoromethylsulfonyl)phenyl]phenyl]formamide?
N-[4-[4-(trifluoromethylsulfonyl)phenyl]phenyl]formamide has a molecular weight of 329.30 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(trifluoromethylsulfonyl)phenyl]phenyl]formamide is sourced from PubChem (CID 86223974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).