N-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]benzamide

C15H12F3NO3S — CID 174889531

IUPACN-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)CC(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C15H12F3NO3S/c16-15(17,18)10-23(21,22)13-8-6-12(7-9-13)19-14(20)11-4-2-1-3-5-11/h1-9H,10H2,(H,19,20)
InChIKeyFABYFIKJEUHIEE-UHFFFAOYSA-N
MW343.33 g/mol
LogP3.27
Rot. Bonds4

About N-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]benzamide

N-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]benzamide (PubChem CID 174889531) has the molecular formula C15H12F3NO3S and a molecular weight of 343.33 g/mol. Its IUPAC name is N-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]benzamide
PubChem CID174889531
Molecular FormulaC15H12F3NO3S
Molecular Weight343.33 g/mol
Exact Mass343.05
IUPAC NameN-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)CC(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C15H12F3NO3S/c16-15(17,18)10-23(21,22)13-8-6-12(7-9-13)19-14(20)11-4-2-1-3-5-11/h1-9H,10H2,(H,19,20)
InChIKeyFABYFIKJEUHIEE-UHFFFAOYSA-N
XLogP3.27
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 18368976
N-[4-(acetylsulfamoyl)phenyl]-4-benzamidobenzamide
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methyl 4-benzamidobenzenesulfonate
CID 141379747
N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 730591
(4-benzamidophenyl)carbamic acid
CID 18543096
N-[4-[2-(oxolan-2-yl)ethylsulfonyl]phenyl]benzamide
CID 163920105
N-[3-(trifluoromethylsulfonyl)phenyl]benzamide
CID 58602789
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
N-phenyl-4-propan-2-ylsulfonylbenzamide
CID 41148668
1-N,4-N-bis[4-(benzylsulfamoyl)phenyl]benzene-1,4-dicarboxamide
CID 4929117
molecular hydrogen;N-phenylbenzamide
CID 145238042
4-[(4-chlorosulfonylbenzoyl)amino]benzoic acid
CID 164925854

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]benzamide?
The IUPAC name of N-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]benzamide (CID 174889531) is N-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]benzamide.
What is the SMILES notation for N-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]benzamide?
The canonical SMILES for N-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)CC(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of N-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]benzamide?
The InChIKey is FABYFIKJEUHIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO3S/c16-15(17,18)10-23(21,22)13-8-6-12(7-9-13)19-14(20)11-4-2-1-3-5-11/h1-9H,10H2,(H,19,20).
What are the key properties of N-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]benzamide?
N-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]benzamide has a molecular weight of 343.33 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]benzamide is sourced from PubChem (CID 174889531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).