N-(6,8-difluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-methylethanesulfonamide

C14H19F2NO3S — CID 21257101

IUPACN-(6,8-difluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)C1CC(C)(C)Oc2c(F)cc(F)cc21
InChIInChI=1S/C14H19F2NO3S/c1-5-21(18,19)17(4)12-8-14(2,3)20-13-10(12)6-9(15)7-11(13)16/h6-7,12H,5,8H2,1-4H3
InChIKeyPXNWOVXHPVVRAN-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.85
Rot. Bonds3

About N-(6,8-difluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-methylethanesulfonamide

N-(6,8-difluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-methylethanesulfonamide (PubChem CID 21257101) has the molecular formula C14H19F2NO3S and a molecular weight of 319.37 g/mol. Its IUPAC name is N-(6,8-difluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-(6,8-difluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-methylethanesulfonamide
PubChem CID21257101
Molecular FormulaC14H19F2NO3S
Molecular Weight319.37 g/mol
Exact Mass319.11
IUPAC NameN-(6,8-difluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)C1CC(C)(C)Oc2c(F)cc(F)cc21
InChIInChI=1S/C14H19F2NO3S/c1-5-21(18,19)17(4)12-8-14(2,3)20-13-10(12)6-9(15)7-11(13)16/h6-7,12H,5,8H2,1-4H3
InChIKeyPXNWOVXHPVVRAN-UHFFFAOYSA-N
XLogP2.85
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6,8-difluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-methylethanesulfonamide?
The IUPAC name of N-(6,8-difluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-methylethanesulfonamide (CID 21257101) is N-(6,8-difluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-methylethanesulfonamide.
What is the SMILES notation for N-(6,8-difluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-methylethanesulfonamide?
The canonical SMILES for N-(6,8-difluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-methylethanesulfonamide is CCS(=O)(=O)N(C)C1CC(C)(C)Oc2c(F)cc(F)cc21.
What is the InChIKey of N-(6,8-difluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-methylethanesulfonamide?
The InChIKey is PXNWOVXHPVVRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO3S/c1-5-21(18,19)17(4)12-8-14(2,3)20-13-10(12)6-9(15)7-11(13)16/h6-7,12H,5,8H2,1-4H3.
What are the key properties of N-(6,8-difluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-methylethanesulfonamide?
N-(6,8-difluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-methylethanesulfonamide has a molecular weight of 319.37 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,8-difluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-methylethanesulfonamide is sourced from PubChem (CID 21257101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).