N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylfuran-3-sulfonamide

C15H16FNO4S — CID 126770272

IUPACN-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylfuran-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCOc3ccc(F)cc32)c(C)o1
InChIInChI=1S/C15H16FNO4S/c1-9-7-15(10(2)21-9)22(18,19)17-13-5-6-20-14-4-3-11(16)8-12(13)14/h3-4,7-8,13,17H,5-6H2,1-2H3
InChIKeyJSPPEWMNJLUJKR-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.84
Rot. Bonds3

About N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylfuran-3-sulfonamide

N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylfuran-3-sulfonamide (PubChem CID 126770272) has the molecular formula C15H16FNO4S and a molecular weight of 325.36 g/mol. Its IUPAC name is N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylfuran-3-sulfonamide.

Molecular Properties

Compound NameN-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylfuran-3-sulfonamide
PubChem CID126770272
Molecular FormulaC15H16FNO4S
Molecular Weight325.36 g/mol
Exact Mass325.08
IUPAC NameN-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylfuran-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCOc3ccc(F)cc32)c(C)o1
InChIInChI=1S/C15H16FNO4S/c1-9-7-15(10(2)21-9)22(18,19)17-13-5-6-20-14-4-3-11(16)8-12(13)14/h3-4,7-8,13,17H,5-6H2,1-2H3
InChIKeyJSPPEWMNJLUJKR-UHFFFAOYSA-N
XLogP2.84
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylfuran-3-sulfonamide?
The IUPAC name of N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylfuran-3-sulfonamide (CID 126770272) is N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylfuran-3-sulfonamide.
What is the SMILES notation for N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylfuran-3-sulfonamide?
The canonical SMILES for N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylfuran-3-sulfonamide is Cc1cc(S(=O)(=O)NC2CCOc3ccc(F)cc32)c(C)o1.
What is the InChIKey of N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylfuran-3-sulfonamide?
The InChIKey is JSPPEWMNJLUJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO4S/c1-9-7-15(10(2)21-9)22(18,19)17-13-5-6-20-14-4-3-11(16)8-12(13)14/h3-4,7-8,13,17H,5-6H2,1-2H3.
What are the key properties of N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylfuran-3-sulfonamide?
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylfuran-3-sulfonamide has a molecular weight of 325.36 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylfuran-3-sulfonamide is sourced from PubChem (CID 126770272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).