N-[2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-yl]-N-methylethanesulfonamide

C15H20F3NO3S — CID 59941103

IUPACN-[2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-yl]-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)C1CC(C)(C)Oc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C15H20F3NO3S/c1-5-23(20,21)19(4)12-9-14(2,3)22-13-7-6-10(8-11(12)13)15(16,17)18/h6-8,12H,5,9H2,1-4H3
InChIKeyLVDIXBVSALWKET-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.59
Rot. Bonds3

About N-[2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-yl]-N-methylethanesulfonamide

N-[2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-yl]-N-methylethanesulfonamide (PubChem CID 59941103) has the molecular formula C15H20F3NO3S and a molecular weight of 351.39 g/mol. Its IUPAC name is N-[2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-yl]-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-[2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-yl]-N-methylethanesulfonamide
PubChem CID59941103
Molecular FormulaC15H20F3NO3S
Molecular Weight351.39 g/mol
Exact Mass351.11
IUPAC NameN-[2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-yl]-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)C1CC(C)(C)Oc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C15H20F3NO3S/c1-5-23(20,21)19(4)12-9-14(2,3)22-13-7-6-10(8-11(12)13)15(16,17)18/h6-8,12H,5,9H2,1-4H3
InChIKeyLVDIXBVSALWKET-UHFFFAOYSA-N
XLogP3.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(4-bromophenyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-N-methylethanesulfonamide
CID 22447236
N-(6,8-difluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-methylethanesulfonamide
CID 21257101
N-(4,4,4-trifluorobutyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide
CID 21257145
N-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-hexylethanesulfonamide
CID 59941111
N-(6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-ethylethanesulfonamide
CID 21257146
N'-ethylsulfonyl-N'-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetohydrazide
CID 67597790
N-(6-butoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-butylbutane-1-sulfonamide
CID 59941104
2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43896317
N-(5-hydroxypentyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide
CID 59941106
N-(3-ethoxypropyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide
CID 59941138
(3S,4R)-2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromene-3,4-diol
CID 135066512
6-tert-butyl-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 64696862

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-yl]-N-methylethanesulfonamide?
The IUPAC name of N-[2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-yl]-N-methylethanesulfonamide (CID 59941103) is N-[2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-yl]-N-methylethanesulfonamide.
What is the SMILES notation for N-[2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-yl]-N-methylethanesulfonamide?
The canonical SMILES for N-[2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-yl]-N-methylethanesulfonamide is CCS(=O)(=O)N(C)C1CC(C)(C)Oc2ccc(C(F)(F)F)cc21.
What is the InChIKey of N-[2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-yl]-N-methylethanesulfonamide?
The InChIKey is LVDIXBVSALWKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO3S/c1-5-23(20,21)19(4)12-9-14(2,3)22-13-7-6-10(8-11(12)13)15(16,17)18/h6-8,12H,5,9H2,1-4H3.
What are the key properties of N-[2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-yl]-N-methylethanesulfonamide?
N-[2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-yl]-N-methylethanesulfonamide has a molecular weight of 351.39 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-yl]-N-methylethanesulfonamide is sourced from PubChem (CID 59941103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).