N-[1-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-N,2-dimethylpropane-2-sulfinamide

C14H19ClF3NOS — CID 123992017

IUPACN-[1-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-N,2-dimethylpropane-2-sulfinamide
SMILESCC(c1cc(Cl)cc(C(F)(F)F)c1)N(C)S(=O)C(C)(C)C
InChIInChI=1S/C14H19ClF3NOS/c1-9(19(5)21(20)13(2,3)4)10-6-11(14(16,17)18)8-12(15)7-10/h6-9H,1-5H3
InChIKeyWNVZQEFOYHEEDO-UHFFFAOYSA-N
MW341.83 g/mol
LogP4.81
Rot. Bonds3

About N-[1-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-N,2-dimethylpropane-2-sulfinamide

N-[1-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-N,2-dimethylpropane-2-sulfinamide (PubChem CID 123992017) has the molecular formula C14H19ClF3NOS and a molecular weight of 341.83 g/mol. Its IUPAC name is N-[1-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-N,2-dimethylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[1-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-N,2-dimethylpropane-2-sulfinamide
PubChem CID123992017
Molecular FormulaC14H19ClF3NOS
Molecular Weight341.83 g/mol
Exact Mass341.08
IUPAC NameN-[1-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-N,2-dimethylpropane-2-sulfinamide
SMILESCC(c1cc(Cl)cc(C(F)(F)F)c1)N(C)S(=O)C(C)(C)C
InChIInChI=1S/C14H19ClF3NOS/c1-9(19(5)21(20)13(2,3)4)10-6-11(14(16,17)18)8-12(15)7-10/h6-9H,1-5H3
InChIKeyWNVZQEFOYHEEDO-UHFFFAOYSA-N
XLogP4.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.83
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1-[3-bromo-5-(trifluoromethyl)phenyl]ethyl]-N,2-dimethylpropane-2-sulfinamide
CID 118492014
N-[1-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-N-methylpropan-2-amine
CID 123426290
N-[tert-butyl(methylidene)-λ4-sulfanyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methylethanamine
CID 123905708
1-[(2R)-butan-2-yl]-3-chloro-5-(trifluoromethyl)benzene
CID 118120315
(1S,2R)-1-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]-3,3-dimethylbutan-2-ol;hydrochloride
CID 171271415
(1S,2R)-1-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171271401
(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
CID 171234933
3-[3-chloro-5-(trifluoromethyl)phenyl]butan-1-amine
CID 117107346
1-chloro-3,5-bis(trifluoromethyl)benzene
CID 2769405
(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2,2-difluoroethanamine
CID 131306985
(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
CID 66512014
1-[(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171167520

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-N,2-dimethylpropane-2-sulfinamide?
The IUPAC name of N-[1-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-N,2-dimethylpropane-2-sulfinamide (CID 123992017) is N-[1-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-N,2-dimethylpropane-2-sulfinamide.
What is the SMILES notation for N-[1-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-N,2-dimethylpropane-2-sulfinamide?
The canonical SMILES for N-[1-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-N,2-dimethylpropane-2-sulfinamide is CC(c1cc(Cl)cc(C(F)(F)F)c1)N(C)S(=O)C(C)(C)C.
What is the InChIKey of N-[1-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-N,2-dimethylpropane-2-sulfinamide?
The InChIKey is WNVZQEFOYHEEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClF3NOS/c1-9(19(5)21(20)13(2,3)4)10-6-11(14(16,17)18)8-12(15)7-10/h6-9H,1-5H3.
What are the key properties of N-[1-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-N,2-dimethylpropane-2-sulfinamide?
N-[1-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-N,2-dimethylpropane-2-sulfinamide has a molecular weight of 341.83 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-N,2-dimethylpropane-2-sulfinamide is sourced from PubChem (CID 123992017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).