N-(6-fluoro-2,2-dimethyl-7-pyrrolidin-1-yl-3,4-dihydrochromen-4-yl)ethanesulfonamide

C17H25FN2O3S — CID 21257080

IUPACN-(6-fluoro-2,2-dimethyl-7-pyrrolidin-1-yl-3,4-dihydrochromen-4-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1CC(C)(C)Oc2cc(N3CCCC3)c(F)cc21
InChIInChI=1S/C17H25FN2O3S/c1-4-24(21,22)19-14-11-17(2,3)23-16-10-15(13(18)9-12(14)16)20-7-5-6-8-20/h9-10,14,19H,4-8,11H2,1-3H3
InChIKeyVKHBDLWKNUETFP-UHFFFAOYSA-N
MW356.46 g/mol
LogP2.97
Rot. Bonds4

About N-(6-fluoro-2,2-dimethyl-7-pyrrolidin-1-yl-3,4-dihydrochromen-4-yl)ethanesulfonamide

N-(6-fluoro-2,2-dimethyl-7-pyrrolidin-1-yl-3,4-dihydrochromen-4-yl)ethanesulfonamide (PubChem CID 21257080) has the molecular formula C17H25FN2O3S and a molecular weight of 356.46 g/mol. Its IUPAC name is N-(6-fluoro-2,2-dimethyl-7-pyrrolidin-1-yl-3,4-dihydrochromen-4-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(6-fluoro-2,2-dimethyl-7-pyrrolidin-1-yl-3,4-dihydrochromen-4-yl)ethanesulfonamide
PubChem CID21257080
Molecular FormulaC17H25FN2O3S
Molecular Weight356.46 g/mol
Exact Mass356.16
IUPAC NameN-(6-fluoro-2,2-dimethyl-7-pyrrolidin-1-yl-3,4-dihydrochromen-4-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1CC(C)(C)Oc2cc(N3CCCC3)c(F)cc21
InChIInChI=1S/C17H25FN2O3S/c1-4-24(21,22)19-14-11-17(2,3)23-16-10-15(13(18)9-12(14)16)20-7-5-6-8-20/h9-10,14,19H,4-8,11H2,1-3H3
InChIKeyVKHBDLWKNUETFP-UHFFFAOYSA-N
XLogP2.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-2,2-dimethyl-7-pyrrolidin-1-yl-3,4-dihydrochromen-4-yl)ethanesulfonamide?
The IUPAC name of N-(6-fluoro-2,2-dimethyl-7-pyrrolidin-1-yl-3,4-dihydrochromen-4-yl)ethanesulfonamide (CID 21257080) is N-(6-fluoro-2,2-dimethyl-7-pyrrolidin-1-yl-3,4-dihydrochromen-4-yl)ethanesulfonamide.
What is the SMILES notation for N-(6-fluoro-2,2-dimethyl-7-pyrrolidin-1-yl-3,4-dihydrochromen-4-yl)ethanesulfonamide?
The canonical SMILES for N-(6-fluoro-2,2-dimethyl-7-pyrrolidin-1-yl-3,4-dihydrochromen-4-yl)ethanesulfonamide is CCS(=O)(=O)NC1CC(C)(C)Oc2cc(N3CCCC3)c(F)cc21.
What is the InChIKey of N-(6-fluoro-2,2-dimethyl-7-pyrrolidin-1-yl-3,4-dihydrochromen-4-yl)ethanesulfonamide?
The InChIKey is VKHBDLWKNUETFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3S/c1-4-24(21,22)19-14-11-17(2,3)23-16-10-15(13(18)9-12(14)16)20-7-5-6-8-20/h9-10,14,19H,4-8,11H2,1-3H3.
What are the key properties of N-(6-fluoro-2,2-dimethyl-7-pyrrolidin-1-yl-3,4-dihydrochromen-4-yl)ethanesulfonamide?
N-(6-fluoro-2,2-dimethyl-7-pyrrolidin-1-yl-3,4-dihydrochromen-4-yl)ethanesulfonamide has a molecular weight of 356.46 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-2,2-dimethyl-7-pyrrolidin-1-yl-3,4-dihydrochromen-4-yl)ethanesulfonamide is sourced from PubChem (CID 21257080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).