(1R)-1-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]ethanesulfonamide

C13H18FNO3S — CID 165409946

IUPAC(1R)-1-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]ethanesulfonamide
SMILESC[C@H]([C@@H]1CC(C)(C)Oc2cc(F)ccc21)S(N)(=O)=O
InChIInChI=1S/C13H18FNO3S/c1-8(19(15,16)17)11-7-13(2,3)18-12-6-9(14)4-5-10(11)12/h4-6,8,11H,7H2,1-3H3,(H2,15,16,17)/t8-,11+/m1/s1
InChIKeyNCPQBISBOYONBP-KCJUWKMLSA-N
MW287.36 g/mol
LogP2.15
Rot. Bonds2

About (1R)-1-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]ethanesulfonamide

(1R)-1-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]ethanesulfonamide (PubChem CID 165409946) has the molecular formula C13H18FNO3S and a molecular weight of 287.36 g/mol. Its IUPAC name is (1R)-1-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]ethanesulfonamide.

Molecular Properties

Compound Name(1R)-1-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]ethanesulfonamide
PubChem CID165409946
Molecular FormulaC13H18FNO3S
Molecular Weight287.36 g/mol
Exact Mass287.10
IUPAC Name(1R)-1-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]ethanesulfonamide
SMILESC[C@H]([C@@H]1CC(C)(C)Oc2cc(F)ccc21)S(N)(=O)=O
InChIInChI=1S/C13H18FNO3S/c1-8(19(15,16)17)11-7-13(2,3)18-12-6-9(14)4-5-10(11)12/h4-6,8,11H,7H2,1-3H3,(H2,15,16,17)/t8-,11+/m1/s1
InChIKeyNCPQBISBOYONBP-KCJUWKMLSA-N
XLogP2.15
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-2,2-dimethyl-4-(sulfamoylamino)-3,4-dihydrochromene
CID 165409830
4-ethyl-7-fluoro-2,2-dimethyl-3,4-dihydrochromene
CID 165409857
ethane;4-ethyl-7-fluoro-2,2-dimethyl-3,4-dihydrochromene
CID 165409856
S-[(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]thiohydroxylamine
CID 165409875
7-fluoro-N,2-dimethyl-2-propan-2-yl-3,4-dihydrochromen-4-amine
CID 114713714
3-[(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122007018
(4S)-7-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104947683
(4R)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 10888842
(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl) acetate
CID 174747498
(4S)-7-fluoro-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-ol
CID 104951830
7-fluoro-1',1'-dimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-amine
CID 114710216
2-N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine-2,5-dicarboxamide
CID 119165389

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]ethanesulfonamide?
The IUPAC name of (1R)-1-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]ethanesulfonamide (CID 165409946) is (1R)-1-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]ethanesulfonamide.
What is the SMILES notation for (1R)-1-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]ethanesulfonamide?
The canonical SMILES for (1R)-1-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]ethanesulfonamide is C[C@H]([C@@H]1CC(C)(C)Oc2cc(F)ccc21)S(N)(=O)=O.
What is the InChIKey of (1R)-1-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]ethanesulfonamide?
The InChIKey is NCPQBISBOYONBP-KCJUWKMLSA-N. The full InChI is InChI=1S/C13H18FNO3S/c1-8(19(15,16)17)11-7-13(2,3)18-12-6-9(14)4-5-10(11)12/h4-6,8,11H,7H2,1-3H3,(H2,15,16,17)/t8-,11+/m1/s1.
What are the key properties of (1R)-1-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]ethanesulfonamide?
(1R)-1-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]ethanesulfonamide has a molecular weight of 287.36 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]ethanesulfonamide is sourced from PubChem (CID 165409946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).