N-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-hexylethanesulfonamide

C19H30FNO3S — CID 59941111

IUPACN-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-hexylethanesulfonamide
SMILESCCCCCCN(C1CC(C)(C)Oc2ccc(F)cc21)S(=O)(=O)CC
InChIInChI=1S/C19H30FNO3S/c1-5-7-8-9-12-21(25(22,23)6-2)17-14-19(3,4)24-18-11-10-15(20)13-16(17)18/h10-11,13,17H,5-9,12,14H2,1-4H3
InChIKeyZFWWYFNVKJPHEH-UHFFFAOYSA-N
MW371.52 g/mol
LogP4.66
Rot. Bonds8

About N-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-hexylethanesulfonamide

N-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-hexylethanesulfonamide (PubChem CID 59941111) has the molecular formula C19H30FNO3S and a molecular weight of 371.52 g/mol. Its IUPAC name is N-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-hexylethanesulfonamide.

Molecular Properties

Compound NameN-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-hexylethanesulfonamide
PubChem CID59941111
Molecular FormulaC19H30FNO3S
Molecular Weight371.52 g/mol
Exact Mass371.19
IUPAC NameN-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-hexylethanesulfonamide
SMILESCCCCCCN(C1CC(C)(C)Oc2ccc(F)cc21)S(=O)(=O)CC
InChIInChI=1S/C19H30FNO3S/c1-5-7-8-9-12-21(25(22,23)6-2)17-14-19(3,4)24-18-11-10-15(20)13-16(17)18/h10-11,13,17H,5-9,12,14H2,1-4H3
InChIKeyZFWWYFNVKJPHEH-UHFFFAOYSA-N
XLogP4.66
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.52
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-hydroxypentyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide
CID 59941106
N-(4,4,4-trifluorobutyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide
CID 21257145
N-(6-butoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-butylbutane-1-sulfonamide
CID 59941104
N-(3-ethoxypropyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide
CID 59941138
N'-ethylsulfonyl-N'-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetohydrazide
CID 67597790
N-butyl-N-(7-methoxy-2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide
CID 59941013
N-(6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-ethylethanesulfonamide
CID 21257146
N-(6-fluoro-2,2-dimethyl-7-pyrrolidin-1-yl-3,4-dihydrochromen-4-yl)-N-(4,4,4-trifluorobutyl)ethanesulfonamide
CID 21257127
4-[(6-butoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-methylsulfonylamino]butanoic acid
CID 59941134
N-[2,2-dimethyl-6-(pyridin-3-ylmethoxy)-3,4-dihydrochromen-4-yl]-N-propylethanesulfonamide
CID 59941052
N-[2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-yl]-N-methylethanesulfonamide
CID 59941103
5-[ethylsulfonyl-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)amino]-N-(3-imidazol-1-ylpropyl)pentanamide
CID 15859753

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-hexylethanesulfonamide?
The IUPAC name of N-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-hexylethanesulfonamide (CID 59941111) is N-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-hexylethanesulfonamide.
What is the SMILES notation for N-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-hexylethanesulfonamide?
The canonical SMILES for N-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-hexylethanesulfonamide is CCCCCCN(C1CC(C)(C)Oc2ccc(F)cc21)S(=O)(=O)CC.
What is the InChIKey of N-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-hexylethanesulfonamide?
The InChIKey is ZFWWYFNVKJPHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FNO3S/c1-5-7-8-9-12-21(25(22,23)6-2)17-14-19(3,4)24-18-11-10-15(20)13-16(17)18/h10-11,13,17H,5-9,12,14H2,1-4H3.
What are the key properties of N-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-hexylethanesulfonamide?
N-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-hexylethanesulfonamide has a molecular weight of 371.52 g/mol, XLogP of 4.66, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-hexylethanesulfonamide is sourced from PubChem (CID 59941111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).