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

C16H16F3NO2S — CID 139187271

IUPACN-methyl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
SMILESC[C@@H](c1ccc(C(F)(F)F)cc1)N(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H16F3NO2S/c1-12(13-8-10-14(11-9-13)16(17,18)19)20(2)23(21,22)15-6-4-3-5-7-15/h3-12H,1-2H3/t12-/m0/s1
InChIKeySTIJUGTZEWLCOJ-LBPRGKRZSA-N
MW343.37 g/mol
LogP4.09
Rot. Bonds4

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

N-methyl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide (PubChem CID 139187271) has the molecular formula C16H16F3NO2S and a molecular weight of 343.37 g/mol. Its IUPAC name is N-methyl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
PubChem CID139187271
Molecular FormulaC16H16F3NO2S
Molecular Weight343.37 g/mol
Exact Mass343.09
IUPAC NameN-methyl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
SMILESC[C@@H](c1ccc(C(F)(F)F)cc1)N(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H16F3NO2S/c1-12(13-8-10-14(11-9-13)16(17,18)19)20(2)23(21,22)15-6-4-3-5-7-15/h3-12H,1-2H3/t12-/m0/s1
InChIKeySTIJUGTZEWLCOJ-LBPRGKRZSA-N
XLogP4.09
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-ethyl-4-fluorobenzenesulfonamide
CID 668993
2-Phenyl-1-phenylsulfonylaziridine
CID 576325
1-(4-Methylbenzenesulfonyl)-2-phenylaziridine
CID 576319
2-(4-Fluorophenyl)-1-tosylpyrrolidine
CID 17950211
N-Benzyl-N-isopropyl-4-methyl-benzenesulfonamide
CID 668963
N-(4-(5-(allyl(methyl)amino)pentyl)cyclohexyl)-N-methyl-4-(trifluoromethyl)benzenesulfonamide
CID 22567773
(2S)-2-(4-Fluorophenyl)-1-(4-methylbenzene-1-sulfonyl)pyrrolidine
CID 32681978
2-[4-[(cyclopentylamino)methyl]phenyl]-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 44600308
N-benzyl-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 71720085
N-benzyl-4-fluoro-N-propan-2-ylbenzenesulfonamide
CID 779504
1-(Benzenesulfonyl)-4-methyl-2-phenylpiperazine
CID 16317268
4-[2-[(4-Methylphenyl)methylamino]ethyl]benzenesulfonamide
CID 4718087

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide?
The IUPAC name of N-methyl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide (CID 139187271) is N-methyl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide?
The canonical SMILES for N-methyl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide is C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-methyl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide?
The InChIKey is STIJUGTZEWLCOJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16F3NO2S/c1-12(13-8-10-14(11-9-13)16(17,18)19)20(2)23(21,22)15-6-4-3-5-7-15/h3-12H,1-2H3/t12-/m0/s1.
What are the key properties of N-methyl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide?
N-methyl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide has a molecular weight of 343.37 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 139187271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).