4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide

C16H16F3NO2S — CID 71816821

IUPAC4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C16H16F3NO2S/c1-11-7-9-13(10-8-11)23(21,22)20-12(2)14-5-3-4-6-15(14)16(17,18)19/h3-10,12,20H,1-2H3
InChIKeyRGVIYEUBIZYFCZ-UHFFFAOYSA-N
MW343.37 g/mol
LogP4.05
Rot. Bonds4

About 4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide

4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide (PubChem CID 71816821) has the molecular formula C16H16F3NO2S and a molecular weight of 343.37 g/mol. Its IUPAC name is 4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
PubChem CID71816821
Molecular FormulaC16H16F3NO2S
Molecular Weight343.37 g/mol
Exact Mass343.09
IUPAC Name4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C16H16F3NO2S/c1-11-7-9-13(10-8-11)23(21,22)20-12(2)14-5-3-4-6-15(14)16(17,18)19/h3-10,12,20H,1-2H3
InChIKeyRGVIYEUBIZYFCZ-UHFFFAOYSA-N
XLogP4.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S,2S)-2-methoxy-2-phenyl-1-[2-(trifluoromethyl)phenyl]ethyl]-4-methylbenzenesulfonamide
CID 11775267
2-[(4-methylphenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 2841182
(2R)-2-(4-methylphenyl)sulfonyl-2-[2-(trifluoromethyl)phenyl]ethanamine
CID 9168030
N-[(2R)-3,3-dimethylbutan-2-yl]-4-methylbenzenesulfonamide
CID 11637441
4-methyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide
CID 5414860
4-methyl-N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)benzenesulfonamide
CID 102415815
4-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 26944548
4-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 40664770
N-[1-(2-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 4828145
4-methyl-N-[(S)-phenyl-[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 134952770
N-(2-methylsulfonylethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 54931550
N-(2-ethylsulfonylethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 75427916

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide (CID 71816821) is 4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NC(C)c2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide?
The InChIKey is RGVIYEUBIZYFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO2S/c1-11-7-9-13(10-8-11)23(21,22)20-12(2)14-5-3-4-6-15(14)16(17,18)19/h3-10,12,20H,1-2H3.
What are the key properties of 4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide?
4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide has a molecular weight of 343.37 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 71816821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).