N-(4-ethylphenyl)-4-(trifluoromethoxy)benzenesulfonamide

C15H14F3NO3S — CID 17154312

IUPACN-(4-ethylphenyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C15H14F3NO3S/c1-2-11-3-5-12(6-4-11)19-23(20,21)14-9-7-13(8-10-14)22-15(16,17)18/h3-10,19H,2H2,1H3
InChIKeyUCCRPUOOSSCQBB-UHFFFAOYSA-N
MW345.34 g/mol
LogP3.95
Rot. Bonds5

About N-(4-ethylphenyl)-4-(trifluoromethoxy)benzenesulfonamide

N-(4-ethylphenyl)-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 17154312) has the molecular formula C15H14F3NO3S and a molecular weight of 345.34 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID17154312
Molecular FormulaC15H14F3NO3S
Molecular Weight345.34 g/mol
Exact Mass345.06
IUPAC NameN-(4-ethylphenyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C15H14F3NO3S/c1-2-11-3-5-12(6-4-11)19-23(20,21)14-9-7-13(8-10-14)22-15(16,17)18/h3-10,19H,2H2,1H3
InChIKeyUCCRPUOOSSCQBB-UHFFFAOYSA-N
XLogP3.95
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.34
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(hydroxymethyl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 3675528
4-ethyl-N-[4-[4-[(4-ethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide
CID 25047818
N-[(2S)-1-[4-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propan-2-yl]propanamide
CID 67419836
4-acetyl-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 2108389
4-ethyl-N-(4-iodophenyl)benzenesulfonamide
CID 1305687
N-[1-(4-aminophenyl)-2-methylpropan-2-yl]propanamide;N-[2-methyl-1-[4-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propan-2-yl]propanamide
CID 158211514
N-(4-ethylphenyl)-4-propylbenzenesulfonamide
CID 22773839
4-ethyl-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 3503977
N-(3,4-dimethoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 3863930
N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-ethylbenzenesulfonamide
CID 22203492
methyl 4-[(4-ethylphenyl)sulfamoyl]benzoate
CID 26487109
N-(6-methoxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 40664381

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(4-ethylphenyl)-4-(trifluoromethoxy)benzenesulfonamide (CID 17154312) is N-(4-ethylphenyl)-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(4-ethylphenyl)-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(4-ethylphenyl)-4-(trifluoromethoxy)benzenesulfonamide is CCc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is UCCRPUOOSSCQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO3S/c1-2-11-3-5-12(6-4-11)19-23(20,21)14-9-7-13(8-10-14)22-15(16,17)18/h3-10,19H,2H2,1H3.
What are the key properties of N-(4-ethylphenyl)-4-(trifluoromethoxy)benzenesulfonamide?
N-(4-ethylphenyl)-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 345.34 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 17154312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).